A0A075BJ54_DROME Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A075BJ54, Species DROME (Drosophila melanogaster, Fruit fly), Gene fs(1)Yb, Length 1,046 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
1M32.1Very low49.1Very low239 Ų239117.1 Ų117.1100%1.17765%0.652SS**  0115.30-95.1173163.700106.8
2E21.5Very low51.3Low178 Ų178116.5 Ų116.583%0.83264%0.638SS**  trans-69.3151.8169.5-73.1-179.3156.500110I4E2-I4 PolarHBondContact O-N 3.46Å
3P25.6Very low53.7Low131 Ų131118.5 Ų118.585%0.85164%0.636SS**  trans-68.5113.517727.6-30.6000109.6G5P3-G5 PolarHBondContact O-N 2.78Å
4I32.8Very low55.6Low140 Ų140114.4 Ų114.472%0.71862%0.617SS**  trans-67118.6172.7-60.7170.3000107.6E2 L7E2-I4 PolarHBondContact O-N 3.46Å; I4-L7 HydrophobicContact CG2-CD1 4.17Å
5G32.9Very low56.8Low57 Ų57113.7 Ų113.759%0.58862%0.618SS**  trans-61157.5177.200000113.3P3 L7P3-G5 PolarHBondContact O-N 2.78Å; G5-L7 PolarHBondContact O-N 3.19Å; G5-L7 VanDerWaalsContact O-N 3.12Å
6D42Very low57.3Low110 Ų110111.4 Ų111.459%0.58861%0.613SS**  trans-48.2115-178.4-80.8-50.9000111.3Q8 H38 K42D6-Q8 PolarHBondContact O-N 3.44Å; D6-H38 IonicContact OD1-CE1 3.11Å; D6-H38 IonicContact OD1-NE2 2.66Å; D6-H38 PolarHBondContact OD1-NE2 3.2Å; D6-K42 IonicContact OD1-NZ 2.76Å; D6-K42 PolarHBondContact OD1-NZ 2.95Å
7L55.3Low57.6Low59 Ų59109.9 Ų109.931%0.30963%0.629SS.*  trans-65102.4173.8-9795.4000109.3I4 G5 V9 D34I4-L7 HydrophobicContact CG2-CD1 4.17Å; G5-L7 PolarHBondContact O-N 3.19Å; G5-L7 VanDerWaalsContact O-N 3.12Å; L7-V9 PolarHBondContact O-N 3.32Å; L7-D34 HydrophobicContact CD2-CB 4.09Å
8Q60.3Low58Low192 Ų192107.9 Ų107.990%0.89764%0.636SS**  trans-76.5110.8169.7-72.7-166-3.600110.1D6D6-Q8 PolarHBondContact O-N 3.44Å
9V76.4Confident58.8Low24 Ų24104.9 Ų104.915%0.14562%0.619CS.*  trans-107.6133.2173.6176.80000109L7 S11 A24 P26 F35L7-V9 PolarHBondContact O-N 3.32Å; V9-S11 PolarHBondContact O-N 3.12Å; V9-A24 HydrophobicContact CG1-CB 4.09Å; V9-P26 HydrophobicContact CG1-CB 4.24Å; V9-P26 HydrophobicContact CG1-CG 3.91Å; V9-F35 HydrophobicContact CB-CD2 4Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CB-CG 4.49Å; V9-F35 HydrophobicContact CG2-CB 4.01Å; V9-F35 HydrophobicContact CG2-CD2 3.38Å; V9-F35 HydrophobicContact CG2-CE2 3.94Å; V9-F35 HydrophobicContact CG2-CG 3.75Å
10P79.6Confident59.7Low80 Ų80102.8 Ų102.852%0.51961%0.608SS.*  trans-53.1125172.2-24.433.3000110.5A24 S25P10-A24 WeakPolarHBondContact O-CA 3.37Å; P10-S25 PolarHBondContact O-N 3.11Å
11S81.9Confident60.8Low78 Ų7898.4 Ų98.455%0.54558%0.581SS.*EExtended strand (participates in β ladder)trans-143148.8178.655.90000112.4V9 Y23V9-S11 PolarHBondContact O-N 3.12Å; S11-Y23 CarbonylContact C-O 3.59Å; S11-Y23 WeakPolarHBondContact CA-O 3.1Å; S11-Y23 WeakPolarHBondContact CB-O 3.08Å
12F74.8Confident63.4Low110 Ų11087.6 Ų87.648%0.48253%0.529SS..EExtended strand (participates in β ladder)trans-137.2156.9174.565.9-86.6000110V14 Y23F12-V14 HydrophobicContact CD2-CG2 3.73Å; F12-V14 HydrophobicContact CE2-CG2 3.55Å; F12-Y23 HydrophobicContact CD2-CD2 4.41Å; F12-Y23 HydrophobicContact CE1-CG 4.27Å; F12-Y23 AromaticContact CE2-CD2 3.8Å; F12-Y23 HydrophobicContact CE2-CD2 3.8Å; F12-Y23 AromaticContact CE2-CG 3.98Å; F12-Y23 HydrophobicContact CE2-CG 3.98Å; F12-Y23 HydrophobicContact CZ-CD1 4.38Å; F12-Y23 HydrophobicContact CZ-CD2 4.04Å; F12-Y23 AromaticContact CZ-CG 3.72Å; F12-Y23 HydrophobicContact CZ-CG 3.72Å; F12-Y23 PolarHBondContact N-O 2.9Å; F12-Y23 PolarHBondContact O-N 2.96Å
13K83.4Confident66.4Low143 Ų14381.3 Ų81.362%0.62250%0.498SS*.EExtended strand (participates in β ladder)trans-112136.2-178-67.3-173.5177.3-1720111.1T20 F21 T22K13-T20 HydrophobicContact CB-CG2 4.29Å; K13-T20 HydrophobicContact CD-CG2 4.15Å; K13-T20 HydrophobicContact CG-CG2 4.48Å; K13-F21 CarbonylContact C-O 3.59Å; K13-F21 VanDerWaalsContact CA-O 3.27Å; K13-F21 WeakPolarHBondContact CA-O 3.45Å; K13-T22 WeakPolarHBondContact CE-OG1 3.26Å; K13-T22 HydrophobicContact CG-CG2 4.31Å
14V79.9Confident69.3Low60 Ų6075.1 Ų75.136%0.36446%0.457SS..EExtended strand (participates in β ladder)trans-125.6131.3175-177.40000108.6F12 F21 Y23F12-V14 HydrophobicContact CD2-CG2 3.73Å; F12-V14 HydrophobicContact CE2-CG2 3.55Å; V14-F21 PolarHBondContact N-O 3.4Å; V14-F21 PolarHBondContact O-N 3.13Å; V14-Y23 HydrophobicContact CB-CE2 4.15Å; V14-Y23 HydrophobicContact CG2-CD2 4.11Å; V14-Y23 HydrophobicContact CG2-CE2 4.05Å
15V74.1Confident71.7Confident104 Ų10470.6 Ų70.663%0.6344%0.438SS*.EExtended strand (participates in β ladder)trans-100.5120.4174.1-176.90000108.4T20V15-T20 HydrophobicContact CG2-CG2 4.46Å
16S64.8Low74.1Confident77 Ų7768 Ų6854%0.53841%0.411SS..EExtended strand (participates in β ladder)trans-137.1129.2177.1-173.90000109.8G18 T19S16-G18 PolarHBondContact O-N 3.06Å; S16-G18 VanDerWaalsContact O-N 3.16Å; S16-T19 PolarHBondContact N-O 3.48Å; S16-T19 PolarHBondContact O-N 2.91Å
17G62.2Low75.7Confident86 Ų8671 Ų7189%0.88742%0.419SS*.THydrogen-bonded Turntrans57.828.4179.100000115.1T19G17-T19 VanDerWaalsContact C-N 3.32Å; G17-T19 PolarHBondContact O-N 2.97Å
18G64.9Low76.8Confident74 Ų7469.5 Ų69.576%0.76341%0.413SS*.THydrogen-bonded Turntrans81.41.2-177.300000115.4S16S16-G18 PolarHBondContact O-N 3.06Å; S16-G18 VanDerWaalsContact O-N 3.16Å
19T72.4Confident77.7Confident51 Ų5162.7 Ų62.731%0.31339%0.394SS..EExtended strand (participates in β ladder)trans-106.8136.8175.2-54.20000110.2S16 G17 F21 M145S16-T19 PolarHBondContact N-O 3.48Å; S16-T19 PolarHBondContact O-N 2.91Å; G17-T19 VanDerWaalsContact C-N 3.32Å; G17-T19 PolarHBondContact O-N 2.97Å; T19-F21 HydrophobicContact CG2-CE2 4.06Å; T19-F21 HydrophobicContact CG2-CZ 4.19Å; T19-M145 HydrophobicContact CG2-CB 4.45Å; T19-M145 HydrophobicContact CG2-CE 4.31Å; T19-M145 HydrophobicContact CG2-CG 3.49Å; T19-M145 VanDerWaalsContact CG2-CG 3.49Å
20T76.9Confident77.8Confident63 Ų6364 Ų6439%0.38741%0.408SS..EExtended strand (participates in β ladder)trans-93.6120.4176.8-57.50000109.8K13 V15K13-T20 HydrophobicContact CB-CG2 4.29Å; K13-T20 HydrophobicContact CD-CG2 4.15Å; K13-T20 HydrophobicContact CG-CG2 4.48Å; V15-T20 HydrophobicContact CG2-CG2 4.46Å
21F83.4Confident77.8Confident10 Ų1061.3 Ų61.34%0.04439%0.392CS..EExtended strand (participates in β ladder)trans-101.1124.6173.6-65.9-92.7000109.6K13 V14 T19 Y23 F129 L133 M145 V147K13-F21 CarbonylContact C-O 3.59Å; K13-F21 VanDerWaalsContact CA-O 3.27Å; K13-F21 WeakPolarHBondContact CA-O 3.45Å; V14-F21 PolarHBondContact N-O 3.4Å; V14-F21 PolarHBondContact O-N 3.13Å; T19-F21 HydrophobicContact CG2-CE2 4.06Å; T19-F21 HydrophobicContact CG2-CZ 4.19Å; F21-Y23 HydrophobicContact CB-CD2 4.19Å; F21-Y23 HydrophobicContact CB-CE2 3.59Å; F21-Y23 HydrophobicContact CG-CE2 4.46Å; F21-F129 HydrophobicContact CE1-CZ 4.37Å; F21-L133 HydrophobicContact CE1-CD2 3.75Å; F21-L133 HydrophobicContact CZ-CD1 4.05Å; F21-L133 HydrophobicContact CZ-CD2 3.6Å; F21-M145 CarbonylContact C-O 3.49Å; F21-M145 WeakPolarHBondContact CA-O 3.47Å; F21-M145 HydrophobicContact CD1-CB 3.38Å; F21-M145 HydrophobicContact CD1-CG 4Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.68Å; F21-M145 HydrophobicContact CE1-SD 4.4Å; F21-M145 HydrophobicContact CG-CB 4.04Å; F21-M145 HydrophobicContact CZ-CB 4.42Å; F21-M145 HydrophobicContact CZ-CG 4.14Å; F21-V147 HydrophobicContact CD1-CG2 4.07Å
22T87.3Confident77.8Confident13 Ų1358.4 Ų58.48%0.0837%0.372CS..EExtended strand (participates in β ladder)trans-96117.4167.4-55.20000107.8K13 M145 L146 V147K13-T22 WeakPolarHBondContact CE-OG1 3.26Å; K13-T22 HydrophobicContact CG-CG2 4.31Å; T22-M145 PolarHBondContact N-O 2.97Å; T22-L146 HydrophobicContact CG2-CD1 4.04Å; T22-L146 CarbonylContact O-C 3.59Å; T22-L146 WeakPolarHBondContact O-CA 3.31Å; T22-L146 WeakPolarHBondContact O-CD1 3.41Å; T22-V147 PolarHBondContact O-N 3.41Å
23Y83.7Confident78.5Confident46 Ų4654.5 Ų54.518%0.1836%0.356CS..EExtended strand (participates in β ladder)trans-93.3126.3172.5-71.6-97.1000108.3S11 F12 V14 F21 V147 T149S11-Y23 CarbonylContact C-O 3.59Å; S11-Y23 WeakPolarHBondContact CA-O 3.1Å; S11-Y23 WeakPolarHBondContact CB-O 3.08Å; F12-Y23 HydrophobicContact CD2-CD2 4.41Å; F12-Y23 HydrophobicContact CE1-CG 4.27Å; F12-Y23 AromaticContact CE2-CD2 3.8Å; F12-Y23 HydrophobicContact CE2-CD2 3.8Å; F12-Y23 AromaticContact CE2-CG 3.98Å; F12-Y23 HydrophobicContact CE2-CG 3.98Å; F12-Y23 HydrophobicContact CZ-CD1 4.38Å; F12-Y23 HydrophobicContact CZ-CD2 4.04Å; F12-Y23 AromaticContact CZ-CG 3.72Å; F12-Y23 HydrophobicContact CZ-CG 3.72Å; F12-Y23 PolarHBondContact N-O 2.9Å; F12-Y23 PolarHBondContact O-N 2.96Å; V14-Y23 HydrophobicContact CB-CE2 4.15Å; V14-Y23 HydrophobicContact CG2-CD2 4.11Å; V14-Y23 HydrophobicContact CG2-CE2 4.05Å; F21-Y23 HydrophobicContact CB-CD2 4.19Å; F21-Y23 HydrophobicContact CB-CE2 3.59Å; F21-Y23 HydrophobicContact CG-CE2 4.46Å; Y23-V147 CarbonylContact C-O 3.53Å; Y23-V147 WeakPolarHBondContact CA-O 3.36Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.65Å; Y23-V147 HydrophobicContact CD1-CG2 4.34Å; Y23-V147 HydrophobicContact CE1-CB 3.75Å; Y23-V147 HydrophobicContact CE1-CG1 3.58Å; Y23-V147 HydrophobicContact CE1-CG2 4Å; Y23-V147 HydrophobicContact CG-CB 4.23Å; Y23-T149 HydrophobicContact CD1-CG2 4.05Å
24A85.9Confident78.5Confident0 Ų051 Ų510%034%0.344CS..EExtended strand (participates in β ladder)trans-115134.3174.100000109V9 P10 P26 F35 L146 V147 T149V9-A24 HydrophobicContact CG1-CB 4.09Å; P10-A24 WeakPolarHBondContact O-CA 3.37Å; A24-P26 WeakPolarHBondContact O-CD 3Å; A24-F35 HydrophobicContact CB-CE1 3.74Å; A24-F35 HydrophobicContact CB-CZ 4.03Å; A24-L146 HydrophobicContact CB-CD1 4.13Å; A24-V147 PolarHBondContact N-O 3.23Å; A24-T149 PolarHBondContact O-N 2.85Å; A24-T149 PolarHBondContact O-OG1 3.43Å
25S83.8Confident78.8Confident45 Ų4549.4 Ų49.432%0.31533%0.332SS..  trans-121.680.7-177.4-56.50000110.7P10 T149P10-S25 PolarHBondContact O-N 3.11Å; S25-T149 WeakPolarHBondContact CA-OG1 3.43Å; S25-T149 WeakPolarHBondContact CB-OG1 3.38Å; S25-T149 PolarHBondContact OG-OG1 3.24Å
26P83.7Confident79.5Confident2 Ų244.6 Ų44.61%0.01330%0.303CS..  trans-65149.3174.7-15.429.9000111.1V9 A24 S28 A31 S32 I148 C151V9-P26 HydrophobicContact CG1-CB 4.24Å; V9-P26 HydrophobicContact CG1-CG 3.91Å; A24-P26 WeakPolarHBondContact O-CD 3Å; P26-S28 VanDerWaalsContact C-N 3.28Å; P26-S28 PolarHBondContact O-N 3.3Å; P26-A31 HydrophobicContact CB-CB 4.1Å; P26-S32 WeakPolarHBondContact CB-OG 3.27Å; P26-S32 VanDerWaalsContact CG-OG 3.3Å; P26-S32 WeakPolarHBondContact CG-OG 3.3Å; P26-I148 HydrophobicContact CG-CG2 4.06Å; P26-C151 WeakPolarHBondContact O-CB 3.4Å
27K75.8Confident80.5Confident174 Ų17441 Ų4176%0.75728%0.277SS*.SBendtrans-72-16-172-62.5-176.3178.8-176.90115
28S78.8Confident81.6Confident28 Ų2838.8 Ų38.820%0.19624%0.244CC..SBendtrans-157.8165.1-179.870.20000110.7P26 A30 A31 S32 E153P26-S28 VanDerWaalsContact C-N 3.28Å; P26-S28 PolarHBondContact O-N 3.3Å; S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 2.89Å; S28-A31 PolarHBondContact O-N 3Å; S28-A31 VanDerWaalsContact O-N 3.14Å; S28-A31 PolarHBondContact OG-N 3.43Å; S28-S32 PolarHBondContact O-N 3.28Å; S28-S32 PolarHBondContact O-OG 2.76Å; S28-E153 VanDerWaalsContact CB-OE1 3.32Å; S28-E153 WeakPolarHBondContact CB-OE1 3.1Å
29G77.4Confident82.5Confident48 Ų4836.2 Ų36.250%0.49521%0.214SC..Hα-helixtrans-58.6-36.3175.800000113.4S32 L33G29-S32 WeakPolarHBondContact O-CB 3.4Å; G29-S32 PolarHBondContact O-N 2.71Å; G29-L33 WeakPolarHBondContact O-CG 3.24Å; G29-L33 PolarHBondContact O-N 2.74Å
30A78.5Confident83.2Confident52 Ų5234.7 Ų34.743%0.4320%0.203SC..Hα-helixtrans-67.1-43.9174.700000111.6S28 S32 L33 D34S28-A30 VanDerWaalsContact C-N 3.26Å; S28-A30 PolarHBondContact O-N 2.89Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.24Å; A30-L33 PolarHBondContact O-N 3.07Å; A30-L33 VanDerWaalsContact O-N 3.17Å; A30-D34 PolarHBondContact O-N 3.28Å
31A79.6Confident83.4Confident24 Ų2438 Ų3820%0.19821%0.209CC..Hα-helixtrans-63.4-33.1176.200000112.3P26 S28 D34 F35P26-A31 HydrophobicContact CB-CB 4.1Å; S28-A31 PolarHBondContact O-N 3Å; S28-A31 VanDerWaalsContact O-N 3.14Å; S28-A31 PolarHBondContact OG-N 3.43Å; A31-D34 PolarHBondContact O-N 2.81Å; A31-F35 VanDerWaalsContact O-CB 3.24Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 PolarHBondContact O-N 3.27Å
32S83.4Confident83Confident16 Ų1644.1 Ų44.111%0.11224%0.235CC..Hα-helixtrans-62.6-43.1173.2-62.60000112.5P26 S28 G29 A30 L36P26-S32 WeakPolarHBondContact CB-OG 3.27Å; P26-S32 VanDerWaalsContact CG-OG 3.3Å; P26-S32 WeakPolarHBondContact CG-OG 3.3Å; S28-S32 PolarHBondContact O-N 3.28Å; S28-S32 PolarHBondContact O-OG 2.76Å; G29-S32 WeakPolarHBondContact O-CB 3.4Å; G29-S32 PolarHBondContact O-N 2.71Å; A30-S32 VanDerWaalsContact C-N 3.27Å; A30-S32 PolarHBondContact O-N 3.24Å; S32-L36 VanDerWaalsContact O-CB 3.28Å; S32-L36 WeakPolarHBondContact O-CB 3.27Å; S32-L36 PolarHBondContact O-N 3.33Å
33L88.1Confident82.1Confident29 Ų2946.2 Ų46.215%0.15224%0.242CC..Hα-helixtrans-71.4-37178.6-67.2168.1000112G29 A30 L36 A37 L63 E66G29-L33 WeakPolarHBondContact O-CG 3.24Å; G29-L33 PolarHBondContact O-N 2.74Å; A30-L33 PolarHBondContact O-N 3.07Å; A30-L33 VanDerWaalsContact O-N 3.17Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-A37 WeakPolarHBondContact O-CB 3.44Å; L33-A37 PolarHBondContact O-N 3.04Å; L33-L63 HydrophobicContact CD2-CD1 3.68Å; L33-E66 HydrophobicContact CD1-CB 3.94Å; L33-E66 HydrophobicContact CD1-CG 3.92Å; L33-E66 HydrophobicContact CD2-CB 3.93Å; L33-E66 HydrophobicContact CD2-CG 4.49Å
34D84.3Confident80.7Confident68 Ų6850.7 Ų50.736%0.36426%0.264SS..Hα-helixtrans-67.8-42.3175.8-67.5-21.6000111.7L7 A30 A31 A37 H38 R70L7-D34 HydrophobicContact CD2-CB 4.09Å; A30-D34 PolarHBondContact O-N 3.28Å; A31-D34 PolarHBondContact O-N 2.81Å; D34-A37 PolarHBondContact O-N 3.22Å; D34-H38 WeakPolarHBondContact O-CB 3.35Å; D34-H38 PolarHBondContact O-N 3.1Å; D34-R70 IonicContact OD1-CZ 3.07Å; D34-R70 IonicContact OD1-NE 2.68Å; D34-R70 PolarHBondContact OD1-NE 3.39Å; D34-R70 IonicContact OD1-NH2 3.37Å
35F85.9Confident79.3Confident28 Ų2853.8 Ų53.812%0.12329%0.29CS..Hα-helixtrans-59.9-48.8172.4175.5-109.1000111.1V9 A24 A31 A37 H38 T39 L146 I148V9-F35 HydrophobicContact CB-CD2 4Å; V9-F35 HydrophobicContact CB-CE2 4.04Å; V9-F35 HydrophobicContact CB-CG 4.49Å; V9-F35 HydrophobicContact CG2-CB 4.01Å; V9-F35 HydrophobicContact CG2-CD2 3.38Å; V9-F35 HydrophobicContact CG2-CE2 3.94Å; V9-F35 HydrophobicContact CG2-CG 3.75Å; A24-F35 HydrophobicContact CB-CE1 3.74Å; A24-F35 HydrophobicContact CB-CZ 4.03Å; A31-F35 VanDerWaalsContact O-CB 3.24Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 PolarHBondContact O-N 3.27Å; F35-A37 PolarHBondContact O-N 3.29Å; F35-H38 PolarHBondContact O-N 3.12Å; F35-T39 PolarHBondContact O-N 2.79Å; F35-T39 PolarHBondContact O-OG1 2.87Å; F35-L146 HydrophobicContact CE1-CD2 4.15Å; F35-I148 HydrophobicContact CD1-CD1 4.33Å
36L88.5Confident77.8Confident2 Ų257.8 Ų57.81%0.0131%0.308CS..Hα-helixtrans-58.8-45.9178.1-16978.6000111.9S32 L33 H38 T39 L40 L52 L63 L67 I119 T121 I148S32-L36 VanDerWaalsContact O-CB 3.28Å; S32-L36 WeakPolarHBondContact O-CB 3.27Å; S32-L36 PolarHBondContact O-N 3.33Å; L33-L36 PolarHBondContact O-N 3.17Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.94Å; L36-T39 PolarHBondContact O-N 3.39Å; L36-L40 HydrophobicContact CG-CD1 4.2Å; L36-L40 WeakPolarHBondContact O-CB 3.31Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.2Å; L36-L52 HydrophobicContact CD1-CD2 3.63Å; L36-L52 HydrophobicContact CD2-CD2 3.95Å; L36-L52 HydrophobicContact CG-CD2 4.11Å; L36-L63 HydrophobicContact CD2-CD1 3.62Å; L36-L63 HydrophobicContact CD2-CD2 4.46Å; L36-L63 HydrophobicContact CD2-CG 4.42Å; L36-L67 HydrophobicContact CD2-CD1 3.85Å; L36-L67 HydrophobicContact CD2-CD2 3.8Å; L36-L67 HydrophobicContact CD2-CG 4.09Å; L36-L67 HydrophobicContact CG-CD2 4.19Å; L36-I119 HydrophobicContact CD1-CD1 3.89Å; L36-I119 HydrophobicContact CD1-CG2 3.74Å; L36-T121 HydrophobicContact CD1-CG2 4.12Å; L36-T121 HydrophobicContact CD2-CG2 4.22Å; L36-I148 HydrophobicContact CB-CD1 4.37Å; L36-I148 HydrophobicContact CD1-CD1 3.61Å
37A87.1Confident76.6Confident1 Ų162.1 Ų62.11%0.00833%0.334CS..Hα-helixtrans-63.4-41.4177.600000111.4L33 D34 F35 L40 R41 L67 R70 V72L33-A37 WeakPolarHBondContact O-CB 3.44Å; L33-A37 PolarHBondContact O-N 3.04Å; D34-A37 PolarHBondContact O-N 3.22Å; F35-A37 PolarHBondContact O-N 3.29Å; A37-L40 PolarHBondContact O-N 3.28Å; A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.34Å; A37-R41 PolarHBondContact O-N 2.83Å; A37-L67 HydrophobicContact CB-CD2 4.13Å; A37-R70 HydrophobicContact CB-CB 3.79Å; A37-R70 HydrophobicContact CB-CG 4.44Å; A37-V72 HydrophobicContact CB-CG2 3.86Å
38H84.6Confident76.3Confident41 Ų4157.3 Ų57.319%0.1932%0.315CS..Hα-helixtrans-63.2-45.9175-177.584.4000112D6 D34 F35 L36 L40 R41 K42D6-H38 IonicContact OD1-CE1 3.11Å; D6-H38 IonicContact OD1-NE2 2.66Å; D6-H38 PolarHBondContact OD1-NE2 3.2Å; D34-H38 WeakPolarHBondContact O-CB 3.35Å; D34-H38 PolarHBondContact O-N 3.1Å; F35-H38 PolarHBondContact O-N 3.12Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.94Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 3.41Å; H38-R41 PolarHBondContact O-N 3.43Å; H38-K42 WeakPolarHBondContact O-CB 3.18Å; H38-K42 PolarHBondContact O-N 3.35Å
39T84.4Confident76.5Confident20 Ų2057.7 Ų57.712%0.12331%0.313CS..Hα-helixtrans-57.7-42.7176.5-55.50000111.8F35 L36 R43 L117 I119 L146F35-T39 PolarHBondContact O-N 2.79Å; F35-T39 PolarHBondContact O-OG1 2.87Å; L36-T39 PolarHBondContact O-N 3.39Å; T39-R43 PolarHBondContact O-N 3.12Å; T39-L117 HydrophobicContact CG2-CD2 4.36Å; T39-I119 HydrophobicContact CG2-CD1 4.48Å; T39-L146 HydrophobicContact CG2-CD2 4.35Å
40L85.9Confident77Confident18 Ų1855.8 Ų55.89%0.09429%0.291CS..Hα-helixtrans-72.9-29.1179.8-68.1171.6000113.2L36 A37 H38 T50 L52 L67 V72 A99 I119L36-L40 HydrophobicContact CG-CD1 4.2Å; L36-L40 WeakPolarHBondContact O-CB 3.31Å; L36-L40 VanDerWaalsContact O-CG 3.29Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.2Å; A37-L40 PolarHBondContact O-N 3.28Å; H38-L40 VanDerWaalsContact C-N 3.31Å; H38-L40 PolarHBondContact O-N 3.41Å; L40-T50 HydrophobicContact CD2-CG2 3.68Å; L40-L52 HydrophobicContact CD1-CD1 3.99Å; L40-L52 HydrophobicContact CD1-CD2 4.35Å; L40-L67 HydrophobicContact CD1-CD1 3.94Å; L40-L67 HydrophobicContact CD1-CD2 4.13Å; L40-V72 HydrophobicContact CB-CG1 3.89Å; L40-V72 HydrophobicContact CD1-CG1 3.75Å; L40-V72 HydrophobicContact CG-CG1 4.46Å; L40-A99 HydrophobicContact CD2-CB 3.88Å; L40-I119 HydrophobicContact CD2-CD1 4.36Å
41R80.8Confident77.6Confident132 Ų13253.3 Ų53.350%0.49827%0.271SS..Hα-helixtrans-80.6-32.9176.1-70.2-174.2-149.3128.2-14.8113.3A37 H38 R43 R70 V72A37-R41 VanDerWaalsContact O-CG 3.29Å; A37-R41 WeakPolarHBondContact O-CG 3.34Å; A37-R41 PolarHBondContact O-N 2.83Å; H38-R41 PolarHBondContact O-N 3.43Å; R41-R43 VanDerWaalsContact C-N 3.27Å; R41-R43 PolarHBondContact O-N 3.22Å; R41-R70 PolarHBondContact NE-O 2.84Å; R41-R70 PolarHBondContact NH2-O 2.95Å; R41-V72 HydrophobicContact CG-CG2 3.99Å
42K75.3Confident78.2Confident139 Ų13952.1 Ų52.160%0.60426%0.261SS*.Hα-helixtrans-70.4-25.5-179.9-169.3169.2-172.3161.10112.3D6 H38D6-K42 IonicContact OD1-NZ 2.76Å; D6-K42 PolarHBondContact OD1-NZ 2.95Å; H38-K42 WeakPolarHBondContact O-CB 3.18Å; H38-K42 PolarHBondContact O-N 3.35Å
43R68.4Low78.6Confident58 Ų5851.4 Ų51.422%0.21926%0.256CS..SBendtrans-87.3130.6175.4-70.8178.1176.3-121.710.4109.8T39 R41 A45 E48 E144T39-R43 PolarHBondContact O-N 3.12Å; R41-R43 VanDerWaalsContact C-N 3.27Å; R41-R43 PolarHBondContact O-N 3.22Å; R43-A45 PolarHBondContact O-N 3Å; R43-E48 WeakPolarHBondContact CD-OE2 3.34Å; R43-E48 VanDerWaalsContact CG-OE2 3.29Å; R43-E48 WeakPolarHBondContact CG-OE2 3.42Å; R43-E48 IonicContact CZ-OE2 2.7Å; R43-E48 IonicContact NE-OE2 3.28Å; R43-E48 IonicContact NH1-OE2 3.88Å; R43-E48 PolarHBondContact NH1-OE2 3.12Å; R43-E144 IonicContact CZ-OE2 3.63Å; R43-E144 IonicContact NH1-OE2 2.7Å; R43-E144 IonicContact NH2-OE2 3.76Å; R43-E144 PolarHBondContact NH2-OE2 3.43Å
44E55Low78.7Confident139 Ų13950 Ų5065%0.6525%0.249SC*.  trans-62.6111.5179.6-77.3-176.1171.100110.1N46 T47 E48E44-N46 PolarHBondContact O-N 3.36Å; E44-T47 WeakPolarHBondContact CB-OG1 3.46Å; E44-T47 PolarHBondContact O-N 3.31Å; E44-T47 VanDerWaalsContact O-N 3.16Å; E44-T47 PolarHBondContact O-OG1 3.39Å; E44-T47 PolarHBondContact OE2-OG1 3.19Å; E44-E48 PolarHBondContact O-N 2.95Å
45A55.2Low78.9Confident65 Ų6549.6 Ų49.654%0.53725%0.245SC..THydrogen-bonded Turntrans-64.514.5-178.500000114.7R43 N97R43-A45 PolarHBondContact O-N 3Å; A45-N97 WeakPolarHBondContact O-CB 3.07Å
46N53.2Low78.9Confident130 Ų13052.5 Ų52.570%0.69526%0.259SS*.THydrogen-bonded Turntrans-123.3-6.7177-76.4-24.2000113.6E44 N97E44-N46 PolarHBondContact O-N 3.36Å; N46-N97 PolarHBondContact OD1-ND2 3.24Å
47T57.5Low78.8Confident92 Ų9254.7 Ų54.756%0.56427%0.27SS*.THydrogen-bonded Turntrans-126.1-26.7-174.7450000113.3E44E44-T47 WeakPolarHBondContact CB-OG1 3.46Å; E44-T47 PolarHBondContact O-N 3.31Å; E44-T47 VanDerWaalsContact O-N 3.16Å; E44-T47 PolarHBondContact O-OG1 3.39Å; E44-T47 PolarHBondContact OE2-OG1 3.19Å
48E70.5Confident78.5Confident74 Ų7460.6 Ų60.635%0.34630%0.296SS..  trans-115.4121-178.2-64.7-172.3178.400113.3R43 E44 N116R43-E48 WeakPolarHBondContact CD-OE2 3.34Å; R43-E48 VanDerWaalsContact CG-OE2 3.29Å; R43-E48 WeakPolarHBondContact CG-OE2 3.42Å; R43-E48 IonicContact CZ-OE2 2.7Å; R43-E48 IonicContact NE-OE2 3.28Å; R43-E48 IonicContact NH1-OE2 3.88Å; R43-E48 PolarHBondContact NH1-OE2 3.12Å; E44-E48 PolarHBondContact O-N 2.95Å; E48-N116 HydrophobicContact CB-CB 4.32Å
49K83.4Confident78.6Confident35 Ų3560.6 Ų60.615%0.15230%0.296CS..  trans-85.8115.5176.6-76.8174.4-179165.80110.6W91 S92 E114 N116 L117K49-W91 HydrophobicContact CB-CH2 3.62Å; K49-W91 HydrophobicContact CB-CZ2 3.73Å; K49-W91 HydrophobicContact CB-CZ3 4.36Å; K49-W91 HydrophobicContact CD-CH2 4.3Å; K49-W91 HydrophobicContact CD-CZ3 4.26Å; K49-W91 VanDerWaalsContact CE-O 3.27Å; K49-W91 WeakPolarHBondContact CE-O 3.45Å; K49-W91 HydrophobicContact CG-CH2 4.19Å; K49-W91 HydrophobicContact CG-CZ2 4.12Å; K49-S92 PolarHBondContact NZ-O 3.09Å; K49-E114 WeakPolarHBondContact CD-O 3.26Å; K49-N116 PolarHBondContact N-OD1 3.21Å; K49-N116 PolarHBondContact O-N 3.27Å; K49-L117 PolarHBondContact O-N 3.05Å
50T88.1Confident78.8Confident8 Ų859.6 Ų59.65%0.04929%0.29CS..EExtended strand (participates in β ladder)trans-111.3135-177.9-57.40000112L40 A99 L100 L117 I119L40-T50 HydrophobicContact CD2-CG2 3.68Å; T50-A99 HydrophobicContact CG2-CB 4.47Å; T50-A99 WeakPolarHBondContact O-CA 3.27Å; T50-L100 PolarHBondContact O-N 3.34Å; T50-L117 CarbonylContact C-O 3.53Å; T50-L117 WeakPolarHBondContact CA-O 3.45Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.15Å; T50-I119 HydrophobicContact CG2-CD1 4.03Å; T50-I119 HydrophobicContact CG2-CG1 4.24Å
51I90.6Very high78.9Confident0 Ų063.7 Ų63.70%031%0.309CS..EExtended strand (participates in β ladder)trans-112.4134.7173.8-64.3-178.1000109.7I53 W91 L100 L102 L110 V113 A115 L117 V118 I119I51-I53 HydrophobicContact CG2-CD1 4.19Å; I51-I53 HydrophobicContact CG2-CG1 3.71Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.32Å; I51-W91 HydrophobicContact CG1-CH2 3.62Å; I51-W91 HydrophobicContact CG1-CZ2 4.19Å; I51-W91 HydrophobicContact CG1-CZ3 4.37Å; I51-L100 CarbonylContact C-O 3.42Å; I51-L100 WeakPolarHBondContact CA-O 3.49Å; I51-L100 HydrophobicContact CG1-CB 4.5Å; I51-L102 HydrophobicContact CG2-CD1 4.43Å; I51-L102 HydrophobicContact CG2-CD2 3.41Å; I51-L102 VanDerWaalsContact CG2-CD2 3.41Å; I51-L102 HydrophobicContact CG2-CG 3.93Å; I51-L110 HydrophobicContact CD1-CD2 4.05Å; I51-V113 HydrophobicContact CD1-CG2 4.3Å; I51-A115 HydrophobicContact CD1-CB 3.62Å; I51-A115 HydrophobicContact CG1-CB 3.93Å; I51-L117 PolarHBondContact N-O 3.37Å; I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 CarbonylContact O-C 3.6Å; I51-V118 WeakPolarHBondContact O-CA 3.41Å; I51-I119 PolarHBondContact O-N 3.18Å
52L92Very high79.2Confident0 Ų065.6 Ų65.60%032%0.316CS..EExtended strand (participates in β ladder)trans-114.8120.9175.7-67.9147.6000108.1L36 L40 L63 L67 T74 A99 L100 I101 L102 I119 T121L36-L52 HydrophobicContact CD1-CD2 3.63Å; L36-L52 HydrophobicContact CD2-CD2 3.95Å; L36-L52 HydrophobicContact CG-CD2 4.11Å; L40-L52 HydrophobicContact CD1-CD1 3.99Å; L40-L52 HydrophobicContact CD1-CD2 4.35Å; L52-L63 HydrophobicContact CB-CD2 4.41Å; L52-L67 HydrophobicContact CD1-CD1 4.13Å; L52-T74 HydrophobicContact CD1-CG2 4.24Å; L52-A99 HydrophobicContact CD1-CB 3.81Å; L52-L100 PolarHBondContact N-O 3.24Å; L52-I101 HydrophobicContact CB-CB 4.41Å; L52-I101 HydrophobicContact CB-CG1 3.97Å; L52-I101 HydrophobicContact CD1-CD1 4.39Å; L52-I101 HydrophobicContact CD1-CG1 3.63Å; L52-I101 HydrophobicContact CG-CG1 4.44Å; L52-I101 WeakPolarHBondContact O-CA 3.46Å; L52-L102 PolarHBondContact O-N 3.25Å; L52-I119 WeakPolarHBondContact CA-O 3.23Å; L52-I119 HydrophobicContact CD2-CB 3.99Å; L52-I119 HydrophobicContact CD2-CD1 3.97Å; L52-I119 HydrophobicContact CD2-CG1 4.44Å; L52-I119 HydrophobicContact CD2-CG2 4.35Å; L52-T121 HydrophobicContact CD2-CG2 3.95Å
53I91.4Very high79.8Confident0 Ų059.7 Ų59.70%029%0.291CS..EExtended strand (participates in β ladder)trans-113.8118.7-174.6-49.2-176.7000110.2I51 L102 L107 V118 I119 T121 L136I51-I53 HydrophobicContact CG2-CD1 4.19Å; I51-I53 HydrophobicContact CG2-CG1 3.71Å; I53-L102 WeakPolarHBondContact CA-O 3.49Å; I53-L102 HydrophobicContact CB-CD1 4.31Å; I53-L102 HydrophobicContact CD1-CD1 4.29Å; I53-L102 HydrophobicContact CG1-CD1 3.81Å; I53-L102 HydrophobicContact CG1-CG 4.32Å; I53-L102 HydrophobicContact CG2-CD1 4.01Å; I53-L107 HydrophobicContact CD1-CD2 4.16Å; I53-V118 HydrophobicContact CD1-CG1 3.44Å; I53-V118 VanDerWaalsContact CD1-CG1 3.44Å; I53-V118 HydrophobicContact CG1-CG1 4.01Å; I53-I119 PolarHBondContact N-O 2.82Å; I53-T121 PolarHBondContact O-N 2.75Å; I53-T121 PolarHBondContact O-OG1 3.4Å; I53-T121 VanDerWaalsContact O-OG1 3.13Å; I53-L136 HydrophobicContact CD1-CD1 3.67Å; I53-L136 HydrophobicContact CD1-CD2 3.79Å; I53-L136 HydrophobicContact CD1-CG 4.23Å
54C91Very high80.9Confident1 Ų161.1 Ų61.11%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-103.1162.5167.8-47.90000110.7E59 A60 L102 C103 D104 T121 T122C54-E59 HydrophobicContact CB-CB 3.83Å; C54-A60 HydrophobicContact CB-CB 4.11Å; C54-L102 PolarHBondContact N-O 3Å; C54-C103 CarbonylContact O-C 3.5Å; C54-C103 WeakPolarHBondContact O-CA 3.39Å; C54-D104 PolarHBondContact O-N 3.01Å; C54-T121 PolarHBondContact SG-OG1 3.15Å; C54-T122 VanDerWaalsContact CA-OG1 3.31Å; C54-T122 WeakPolarHBondContact CA-OG1 3.46Å
55Q88.3Confident82.4Confident58 Ų5860.5 Ų60.527%0.27129%0.294SS..SBendtrans-77.4-45.2176.1-173.6177.6-6.500110.5E59 T122 P124Q55-E59 PolarHBondContact N-OE2 2.96Å; Q55-T122 PolarHBondContact N-OG1 2.94Å; Q55-P124 HydrophobicContact CG-CB 4.17Å
56Q86.3Confident84Confident90 Ų9059.2 Ų59.242%0.42128%0.277SS..SBendtrans-119.9153.3-173.7-61.6-176.2-32.800112.6F58 E59 A60Q56-F58 VanDerWaalsContact C-N 3.34Å; Q56-F58 HydrophobicContact CB-CD1 4.01Å; Q56-F58 HydrophobicContact CB-CE1 3.82Å; Q56-F58 HydrophobicContact CB-CZ 4.34Å; Q56-F58 HydrophobicContact CG-CE1 4.39Å; Q56-F58 PolarHBondContact O-N 2.99Å; Q56-E59 HydrophobicContact CB-CG 4.21Å; Q56-E59 PolarHBondContact N-OE2 3.37Å; Q56-E59 WeakPolarHBondContact O-CB 3.38Å; Q56-E59 PolarHBondContact O-N 3.35Å; Q56-A60 PolarHBondContact O-N 3.38Å
57N84.9Confident85.6Confident47 Ų4753 Ų5325%0.25124%0.244SC..Hα-helixtrans-63.7-36.1-176.8-177.970.6000112.9E59 A60 E61 P79N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.25Å; N57-A60 WeakPolarHBondContact O-CB 3.39Å; N57-A60 PolarHBondContact O-N 2.83Å; N57-E61 PolarHBondContact ND2-OE1 3.1Å; N57-E61 WeakPolarHBondContact O-CG 3.48Å; N57-E61 PolarHBondContact O-N 2.72Å; N57-P79 HydrophobicContact CB-CG 4.3Å; N57-P79 WeakPolarHBondContact OD1-CD 3.48Å
58F82.4Confident86.9Confident125 Ų12551.2 Ų51.255%0.54824%0.238SC..Hα-helixtrans-67.5-30.8177.773.4-103.4000112.1Q56 A60 E61 R62Q56-F58 VanDerWaalsContact C-N 3.34Å; Q56-F58 HydrophobicContact CB-CD1 4.01Å; Q56-F58 HydrophobicContact CB-CE1 3.82Å; Q56-F58 HydrophobicContact CB-CZ 4.34Å; Q56-F58 HydrophobicContact CG-CE1 4.39Å; Q56-F58 PolarHBondContact O-N 2.99Å; F58-A60 VanDerWaalsContact C-N 3.34Å; F58-E61 PolarHBondContact O-N 2.76Å; F58-R62 WeakPolarHBondContact O-CB 3.14Å; F58-R62 PolarHBondContact O-N 2.95Å
59E87.1Confident87.5Confident41 Ų4153.7 Ų53.719%0.19225%0.25CC..Hα-helixtrans-65.8-42.9174.2-61.9175.4172.400110C54 Q55 Q56 N57 R62 L63 T122C54-E59 HydrophobicContact CB-CB 3.83Å; Q55-E59 PolarHBondContact N-OE2 2.96Å; Q56-E59 HydrophobicContact CB-CG 4.21Å; Q56-E59 PolarHBondContact N-OE2 3.37Å; Q56-E59 WeakPolarHBondContact O-CB 3.38Å; Q56-E59 PolarHBondContact O-N 3.35Å; N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.25Å; E59-R62 PolarHBondContact O-N 2.7Å; E59-L63 WeakPolarHBondContact O-CB 3.43Å; E59-L63 PolarHBondContact O-N 2.81Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.44Å; E59-T122 PolarHBondContact OE2-OG1 2.86Å
60A87.8Confident87.7Confident0 Ų054 Ų540%025%0.25CS..Hα-helixtrans-64.5-39.217700000112.2C54 Q56 N57 F58 K64 L76 I101C54-A60 HydrophobicContact CB-CB 4.11Å; Q56-A60 PolarHBondContact O-N 3.38Å; N57-A60 WeakPolarHBondContact O-CB 3.39Å; N57-A60 PolarHBondContact O-N 2.83Å; F58-A60 VanDerWaalsContact C-N 3.34Å; A60-K64 WeakPolarHBondContact O-CB 3.44Å; A60-K64 PolarHBondContact O-N 2.9Å; A60-L76 HydrophobicContact CB-CD1 3.46Å; A60-L76 VanDerWaalsContact CB-CD1 3.46Å; A60-I101 HydrophobicContact CB-CG2 3.73Å
61E87.1Confident87.3Confident103 Ų10359.8 Ų59.848%0.48128%0.281SS..Hα-helixtrans-65.3-44.9172.8-74.5178.5-174.900112.3N57 F58 K64 F65 L76N57-E61 PolarHBondContact ND2-OE1 3.1Å; N57-E61 WeakPolarHBondContact O-CG 3.48Å; N57-E61 PolarHBondContact O-N 2.72Å; F58-E61 PolarHBondContact O-N 2.76Å; E61-K64 PolarHBondContact O-N 3.09Å; E61-F65 PolarHBondContact O-N 3.16Å; E61-L76 HydrophobicContact CB-CD2 4.34Å; E61-L76 HydrophobicContact CG-CD2 3.5Å
62R87.6Confident87Confident172 Ų17260.3 Ų60.365%0.64928%0.284SS*.Hα-helixtrans-62.5-46.9175.4-176.1178176.5-172.5-1.9111F58 E59 K64 F65 E66F58-R62 WeakPolarHBondContact O-CB 3.14Å; F58-R62 PolarHBondContact O-N 2.95Å; E59-R62 PolarHBondContact O-N 2.7Å; R62-K64 VanDerWaalsContact C-N 3.31Å; R62-K64 PolarHBondContact O-N 2.85Å; R62-F65 WeakPolarHBondContact O-CB 3.32Å; R62-F65 PolarHBondContact O-N 3.37Å; R62-F65 VanDerWaalsContact O-N 3.08Å; R62-E66 HydrophobicContact CG-CG 4.23Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.37Å; R62-E66 PolarHBondContact O-N 3.46Å
63L88.4Confident86.4Confident15 Ų1566 Ų668%0.07931%0.314CS..Hα-helixtrans-59.6-41.7178.9-17664.7000111.9L33 L36 L52 E59 F65 E66 L67 I101 T121L33-L63 HydrophobicContact CD2-CD1 3.68Å; L36-L63 HydrophobicContact CD2-CD1 3.62Å; L36-L63 HydrophobicContact CD2-CD2 4.46Å; L36-L63 HydrophobicContact CD2-CG 4.42Å; L52-L63 HydrophobicContact CB-CD2 4.41Å; E59-L63 WeakPolarHBondContact O-CB 3.43Å; E59-L63 PolarHBondContact O-N 2.81Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 2.85Å; L63-E66 PolarHBondContact O-N 3.1Å; L63-L67 HydrophobicContact CD1-CD1 4.3Å; L63-L67 HydrophobicContact CD1-CG 4.33Å; L63-L67 HydrophobicContact CG-CD1 4.08Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 WeakPolarHBondContact O-CG 3.13Å; L63-L67 PolarHBondContact O-N 3.28Å; L63-I101 HydrophobicContact CD2-CD1 4.42Å; L63-I101 HydrophobicContact CD2-CG2 4.23Å; L63-I101 HydrophobicContact CG-CD1 4.35Å; L63-T121 HydrophobicContact CD2-CG2 3.8Å
64K91.7Very high86.3Confident89 Ų8966.5 Ų66.539%0.38732%0.318SS..Hα-helixtrans-58.6-45174.3-177.8-174.1-174.3175.70111.7A60 E61 R62 A68 L76 I101A60-K64 WeakPolarHBondContact O-CB 3.44Å; A60-K64 PolarHBondContact O-N 2.9Å; E61-K64 PolarHBondContact O-N 3.09Å; R62-K64 VanDerWaalsContact C-N 3.31Å; R62-K64 PolarHBondContact O-N 2.85Å; K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 3.06Å; K64-L76 HydrophobicContact CD-CB 3.75Å; K64-L76 HydrophobicContact CD-CD2 4.35Å; K64-I101 HydrophobicContact CB-CD1 3.83Å; K64-I101 HydrophobicContact CG-CD1 4.44Å
65F86.8Confident86.3Confident125 Ų12568 Ų6855%0.54833%0.325SS..Hα-helixtrans-64-48.6179.2-176.6-92000111.2E61 R62 L63 L67 A68 E69E61-F65 PolarHBondContact O-N 3.16Å; R62-F65 WeakPolarHBondContact O-CB 3.32Å; R62-F65 PolarHBondContact O-N 3.37Å; R62-F65 VanDerWaalsContact O-N 3.08Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 2.85Å; F65-L67 VanDerWaalsContact C-N 3.34Å; F65-L67 PolarHBondContact O-N 3.22Å; F65-A68 WeakPolarHBondContact O-CB 3.35Å; F65-A68 PolarHBondContact O-N 3.25Å; F65-A68 VanDerWaalsContact O-N 3.12Å; F65-E69 HydrophobicContact CD1-CG 4.38Å; F65-E69 VanDerWaalsContact CE1-CD 3.45Å; F65-E69 HydrophobicContact CE1-CG 3.96Å; F65-E69 VanDerWaalsContact CE1-OE1 3.23Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.38Å; F65-E69 HydrophobicContact CZ-CG 4.29Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.35Å; F65-E69 PolarHBondContact O-N 2.94Å
66E89.1Confident86.3Confident38 Ų3866.5 Ų66.518%0.17832%0.319CS..Hα-helixtrans-63.1-36.1-179.6-69.5-73.4173.800113.5L33 R62 L63 R70L33-E66 HydrophobicContact CD1-CB 3.94Å; L33-E66 HydrophobicContact CD1-CG 3.92Å; L33-E66 HydrophobicContact CD2-CB 3.93Å; L33-E66 HydrophobicContact CD2-CG 4.49Å; R62-E66 HydrophobicContact CG-CG 4.23Å; R62-E66 VanDerWaalsContact O-CG 3.27Å; R62-E66 WeakPolarHBondContact O-CG 3.37Å; R62-E66 PolarHBondContact O-N 3.46Å; L63-E66 PolarHBondContact O-N 3.1Å; E66-R70 PolarHBondContact O-N 2.88Å; E66-R70 PolarHBondContact O-NH1 2.91Å; E66-R70 IonicContact OE2-CZ 3.11Å; E66-R70 IonicContact OE2-NH1 3.63Å; E66-R70 PolarHBondContact OE2-NH1 3.29Å
67L86.8Confident86.2Confident0 Ų062.3 Ų62.30%030%0.299CS..Hα-helixtrans-72.8-34.4174-78.7177.5000112.2L36 A37 L40 L52 L63 F65 R70 D71 V72 T74 I101L36-L67 HydrophobicContact CD2-CD1 3.85Å; L36-L67 HydrophobicContact CD2-CD2 3.8Å; L36-L67 HydrophobicContact CD2-CG 4.09Å; L36-L67 HydrophobicContact CG-CD2 4.19Å; A37-L67 HydrophobicContact CB-CD2 4.13Å; L40-L67 HydrophobicContact CD1-CD1 3.94Å; L40-L67 HydrophobicContact CD1-CD2 4.13Å; L52-L67 HydrophobicContact CD1-CD1 4.13Å; L63-L67 HydrophobicContact CD1-CD1 4.3Å; L63-L67 HydrophobicContact CD1-CG 4.33Å; L63-L67 HydrophobicContact CG-CD1 4.08Å; L63-L67 HydrophobicContact CG-CG 4.49Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 WeakPolarHBondContact O-CG 3.13Å; L63-L67 PolarHBondContact O-N 3.28Å; F65-L67 VanDerWaalsContact C-N 3.34Å; F65-L67 PolarHBondContact O-N 3.22Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.23Å; L67-R70 WeakPolarHBondContact O-CA 3.15Å; L67-R70 PolarHBondContact O-N 3.34Å; L67-R70 VanDerWaalsContact O-N 3.11Å; L67-D71 PolarHBondContact O-N 2.95Å; L67-V72 CarbonylContact C-O 3.49Å; L67-V72 HydrophobicContact CB-CB 4.2Å; L67-V72 HydrophobicContact CD2-CB 4.25Å; L67-V72 HydrophobicContact CD2-CG1 4.49Å; L67-V72 HydrophobicContact CD2-CG2 4.49Å; L67-V72 PolarHBondContact O-N 3.2Å; L67-T74 HydrophobicContact CB-CG2 4.42Å; L67-T74 HydrophobicContact CD1-CG2 3.76Å; L67-I101 HydrophobicContact CD1-CD1 4.25Å
68A83.4Confident85.7Confident54 Ų5462.7 Ų62.745%0.44630%0.304SS..Hα-helixtrans-68.1-36.7175.700000112.1K64 F65 R70 D71K64-A68 WeakPolarHBondContact O-CB 3.35Å; K64-A68 PolarHBondContact O-N 3.06Å; F65-A68 WeakPolarHBondContact O-CB 3.35Å; F65-A68 PolarHBondContact O-N 3.25Å; F65-A68 VanDerWaalsContact O-N 3.12Å; A68-R70 PolarHBondContact O-N 2.83Å; A68-D71 PolarHBondContact O-N 3.38Å; A68-D71 VanDerWaalsContact O-N 3.09Å
69E84.4Confident85Confident126 Ų12658.3 Ų58.359%0.58929%0.288SS*.Hα-helixtrans-62.9-22.8170.9-69.5-163.214800112.6F65F65-E69 HydrophobicContact CD1-CG 4.38Å; F65-E69 VanDerWaalsContact CE1-CD 3.45Å; F65-E69 HydrophobicContact CE1-CG 3.96Å; F65-E69 VanDerWaalsContact CE1-OE1 3.23Å; F65-E69 WeakPolarHBondContact CE1-OE1 3.38Å; F65-E69 HydrophobicContact CZ-CG 4.29Å; F65-E69 WeakPolarHBondContact CZ-OE1 3.35Å; F65-E69 PolarHBondContact O-N 2.94Å
70R85.9Confident84.1Confident43 Ų4364.2 Ų64.216%0.16232%0.316CS..THydrogen-bonded Turntrans-100.429.1174.4-64.6169.317779.4-1.2111.7D34 A37 R41 E66 L67 A68 V72D34-R70 IonicContact OD1-CZ 3.07Å; D34-R70 IonicContact OD1-NE 2.68Å; D34-R70 PolarHBondContact OD1-NE 3.39Å; D34-R70 IonicContact OD1-NH2 3.37Å; A37-R70 HydrophobicContact CB-CB 3.79Å; A37-R70 HydrophobicContact CB-CG 4.44Å; R41-R70 PolarHBondContact NE-O 2.84Å; R41-R70 PolarHBondContact NH2-O 2.95Å; E66-R70 PolarHBondContact O-N 2.88Å; E66-R70 PolarHBondContact O-NH1 2.91Å; E66-R70 IonicContact OE2-CZ 3.11Å; E66-R70 IonicContact OE2-NH1 3.63Å; E66-R70 PolarHBondContact OE2-NH1 3.29Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.23Å; L67-R70 WeakPolarHBondContact O-CA 3.15Å; L67-R70 PolarHBondContact O-N 3.34Å; L67-R70 VanDerWaalsContact O-N 3.11Å; A68-R70 PolarHBondContact O-N 2.83Å; R70-V72 WeakPolarHBondContact O-CG2 3.35Å; R70-V72 PolarHBondContact O-N 3.37Å
71D81.2Confident83.1Confident129 Ų12965.5 Ų65.569%0.6933%0.328SS*.THydrogen-bonded Turntrans54.424.8175.3-69.1-39.6000115.2L67 A68L67-D71 PolarHBondContact O-N 2.95Å; A68-D71 PolarHBondContact O-N 3.38Å; A68-D71 VanDerWaalsContact O-N 3.09Å
72V82.5Confident82Confident11 Ų1165.6 Ų65.67%0.06735%0.347CS..  trans-104.9112.1174.6-178.10000109.5A37 L40 R41 L67 R70 T74A37-V72 HydrophobicContact CB-CG2 3.86Å; L40-V72 HydrophobicContact CB-CG1 3.89Å; L40-V72 HydrophobicContact CD1-CG1 3.75Å; L40-V72 HydrophobicContact CG-CG1 4.46Å; R41-V72 HydrophobicContact CG-CG2 3.99Å; L67-V72 CarbonylContact C-O 3.49Å; L67-V72 HydrophobicContact CB-CB 4.2Å; L67-V72 HydrophobicContact CD2-CB 4.25Å; L67-V72 HydrophobicContact CD2-CG1 4.49Å; L67-V72 HydrophobicContact CD2-CG2 4.49Å; L67-V72 PolarHBondContact O-N 3.2Å; R70-V72 WeakPolarHBondContact O-CG2 3.35Å; R70-V72 PolarHBondContact O-N 3.37Å; V72-T74 HydrophobicContact CG1-CG2 3.91Å; V72-T74 PolarHBondContact O-N 2.86Å
73N81.4Confident81.1Confident119 Ų11962.6 Ų62.664%0.63634%0.342SS*.  trans-81117.6177.4-71-50.5000110.7Q98N73-Q98 HydrophobicContact CB-CG 4.41Å
74T89.4Confident80.7Confident11 Ų1162.8 Ų62.87%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-126.9156.4179.959.10000111.8L52 L67 V72 A99 I101L52-T74 HydrophobicContact CD1-CG2 4.24Å; L67-T74 HydrophobicContact CB-CG2 4.42Å; L67-T74 HydrophobicContact CD1-CG2 3.76Å; V72-T74 HydrophobicContact CG1-CG2 3.91Å; V72-T74 PolarHBondContact O-N 2.86Å; T74-A99 WeakPolarHBondContact CA-O 3.23Å; T74-A99 HydrophobicContact CG2-CB 4.22Å; T74-I101 HydrophobicContact CG2-CD1 4.1Å; T74-I101 HydrophobicContact CG2-CG1 4.41Å; T74-I101 VanDerWaalsContact OG1-CD1 3.22Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.49Å
75I89.3Confident80Confident33 Ų3361.2 Ų61.217%0.16935%0.352CS..EExtended strand (participates in β ladder)trans-110.2119.3174.7-69.4167.8000108.5V87 I96 Q98 A99 L100 I101I75-V87 HydrophobicContact CG2-CG1 3.9Å; I75-I96 HydrophobicContact CD1-CB 4.46Å; I75-I96 HydrophobicContact CD1-CD1 4.39Å; I75-I96 HydrophobicContact CD1-CG2 3.08Å; I75-Q98 HydrophobicContact CD1-CB 3.95Å; I75-Q98 HydrophobicContact CG1-CB 4.08Å; I75-A99 PolarHBondContact N-O 2.87Å; I75-L100 HydrophobicContact CB-CD1 4.28Å; I75-L100 HydrophobicContact CG2-CD1 4.01Å; I75-L100 CarbonylContact O-C 3.6Å; I75-L100 WeakPolarHBondContact O-CA 3.27Å; I75-I101 PolarHBondContact O-N 3.47Å
76L89.3Confident79.7Confident26 Ų2660.5 Ų60.514%0.13635%0.35CS..EExtended strand (participates in β ladder)trans-87.4126.1169.9174.167.4000109.5A60 E61 K64 P78 I101A60-L76 HydrophobicContact CB-CD1 3.46Å; A60-L76 VanDerWaalsContact CB-CD1 3.46Å; E61-L76 HydrophobicContact CB-CD2 4.34Å; E61-L76 HydrophobicContact CG-CD2 3.5Å; K64-L76 HydrophobicContact CD-CB 3.75Å; K64-L76 HydrophobicContact CD-CD2 4.35Å; L76-P78 WeakPolarHBondContact O-CD 3.29Å; L76-I101 WeakPolarHBondContact CA-O 3.49Å; L76-I101 HydrophobicContact CD1-CB 4.1Å; L76-I101 HydrophobicContact CD1-CG2 3.9Å
77L84.1Confident79.4Confident2 Ų260.2 Ų60.21%0.0135%0.351CS..PPolyproline II helixtrans-87.3117.4164.4-78.9166.7000108.9V84 V87 L88 L100 I101 I106L77-V84 HydrophobicContact CD2-CB 4.27Å; L77-V84 HydrophobicContact CD2-CG1 4.13Å; L77-V84 HydrophobicContact CD2-CG2 4.12Å; L77-V87 HydrophobicContact CD2-CB 3.98Å; L77-V87 HydrophobicContact CD2-CG1 3.84Å; L77-L88 HydrophobicContact CD1-CD1 4.4Å; L77-L88 HydrophobicContact CD1-CD2 3.51Å; L77-L88 HydrophobicContact CD1-CG 3.83Å; L77-L88 HydrophobicContact CD2-CG 4.35Å; L77-L100 HydrophobicContact CD1-CD1 3.57Å; L77-L100 HydrophobicContact CD1-CD2 3.6Å; L77-L100 HydrophobicContact CD1-CG 3.72Å; L77-L100 HydrophobicContact CG-CD1 3.77Å; L77-L100 HydrophobicContact CG-CG 4.33Å; L77-I101 PolarHBondContact N-O 3.28Å; L77-I106 HydrophobicContact CB-CD1 3.89Å; L77-I106 WeakPolarHBondContact O-CD1 3.4Å
78P74.6Confident79.2Confident55 Ų5560.9 Ų60.936%0.35736%0.355SS..PPolyproline II helixtrans-83.8143.6173.231.7-31.9000110.5L76 H80 G81 V84 I106L76-P78 WeakPolarHBondContact O-CD 3.29Å; P78-H80 PolarHBondContact O-N 3.18Å; P78-G81 PolarHBondContact O-N 2.68Å; P78-V84 WeakPolarHBondContact O-CG2 3.32Å; P78-I106 VanDerWaalsContact C-CD1 3.4Å
79P67.9Low79.1Confident32 Ų3263.2 Ų63.221%0.20836%0.359CS..THydrogen-bonded Turntrans-65.9-12.3-170.920.2-29.5000115.8N57 I106N57-P79 HydrophobicContact CB-CG 4.3Å; N57-P79 WeakPolarHBondContact OD1-CD 3.48Å; P79-I106 VanDerWaalsContact CA-CD1 3.43Å; P79-I106 HydrophobicContact CB-CD1 3.96Å; P79-I106 HydrophobicContact CB-CG1 3.69Å; P79-I106 VanDerWaalsContact N-CD1 3.35Å
80H67.7Low78.9Confident166 Ų16661 Ų6177%0.76935%0.351SS*.THydrogen-bonded Turntrans-130.921.6-179.6-54.6-49000113.5P78P78-H80 PolarHBondContact O-N 3.18Å
81G66.2Low78.9Confident26 Ų2659 Ų5927%0.26834%0.343SS..  trans-72.3127.2179.300000112.4P78 M83 V84P78-G81 PolarHBondContact O-N 2.68Å; G81-M83 PolarHBondContact O-N 3.02Å; G81-V84 WeakPolarHBondContact O-CB 3.22Å; G81-V84 VanDerWaalsContact O-CG2 3.23Å; G81-V84 WeakPolarHBondContact O-CG2 3.28Å; G81-V84 PolarHBondContact O-N 3.2Å
82A64.2Low78.8Confident105 Ų10554.5 Ų54.587%0.86832%0.322SS*.THydrogen-bonded Turntrans-58.8-15174.700000114
83M69.3Low78.7Confident110 Ų11061 Ų6154%0.54235%0.35SS..THydrogen-bonded Turntrans-102.70.2-178.7-59.2-68.9-78.200113.6G81 G85 Q86 V87G81-M83 PolarHBondContact O-N 3.02Å; M83-G85 PolarHBondContact O-N 3.43Å; M83-Q86 PolarHBondContact O-N 3.21Å; M83-Q86 PolarHBondContact SD-OE1 3.39Å; M83-Q86 VanDerWaalsContact SD-OE1 3.33Å; M83-V87 HydrophobicContact CB-CG2 4.33Å; M83-V87 WeakPolarHBondContact O-CG2 3.48Å; M83-V87 PolarHBondContact O-N 3.29Å
84V79.3Confident78.3Confident19 Ų1956.9 Ų56.912%0.11534%0.335CS..Hα-helixtrans-53.9-50.2-174.9164.90000111.5L77 P78 G81 Q86 V87 L88 I106L77-V84 HydrophobicContact CD2-CB 4.27Å; L77-V84 HydrophobicContact CD2-CG1 4.13Å; L77-V84 HydrophobicContact CD2-CG2 4.12Å; P78-V84 WeakPolarHBondContact O-CG2 3.32Å; G81-V84 WeakPolarHBondContact O-CB 3.22Å; G81-V84 VanDerWaalsContact O-CG2 3.23Å; G81-V84 WeakPolarHBondContact O-CG2 3.28Å; G81-V84 PolarHBondContact O-N 3.2Å; V84-Q86 VanDerWaalsContact C-N 3.32Å; V84-Q86 PolarHBondContact O-N 3.22Å; V84-V87 PolarHBondContact O-N 3.39Å; V84-L88 HydrophobicContact CG1-CD1 3.76Å; V84-L88 WeakPolarHBondContact O-CB 3.29Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.87Å; V84-I106 HydrophobicContact CG1-CG2 4.49Å
85G78.1Confident77.7Confident55 Ų5564.8 Ų64.857%0.56737%0.365SS*.Hα-helixtrans-62.8-34.9178.600000113.8M83 L89M83-G85 PolarHBondContact O-N 3.43Å; G85-L89 VanDerWaalsContact O-CB 3.28Å; G85-L89 WeakPolarHBondContact O-CB 3.33Å; G85-L89 PolarHBondContact O-N 2.86Å
86Q79.9Confident77.4Confident110 Ų11064.8 Ų64.851%0.51437%0.365SS..Hα-helixtrans-73.7-40.8177.5-68.4-178.50.900111.9M83 V84 L89 L90M83-Q86 PolarHBondContact O-N 3.21Å; M83-Q86 PolarHBondContact SD-OE1 3.39Å; M83-Q86 VanDerWaalsContact SD-OE1 3.33Å; V84-Q86 VanDerWaalsContact C-N 3.32Å; V84-Q86 PolarHBondContact O-N 3.22Å; Q86-L89 PolarHBondContact O-N 2.89Å; Q86-L90 WeakPolarHBondContact O-CB 3.27Å; Q86-L90 VanDerWaalsContact O-CG 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.37Å; Q86-L90 PolarHBondContact O-N 2.9Å
87V82.2Confident76.8Confident33 Ų3366.3 Ų66.320%0.237%0.373CS..Hα-helixtrans-65.2-44.3177173.60000110.3I75 L77 M83 V84 L89 L90 W91 I96I75-V87 HydrophobicContact CG2-CG1 3.9Å; L77-V87 HydrophobicContact CD2-CB 3.98Å; L77-V87 HydrophobicContact CD2-CG1 3.84Å; M83-V87 HydrophobicContact CB-CG2 4.33Å; M83-V87 WeakPolarHBondContact O-CG2 3.48Å; M83-V87 PolarHBondContact O-N 3.29Å; V84-V87 PolarHBondContact O-N 3.39Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.33Å; V87-L90 PolarHBondContact O-N 2.85Å; V87-W91 WeakPolarHBondContact O-CB 3.21Å; V87-W91 PolarHBondContact O-N 2.96Å; V87-I96 HydrophobicContact CG1-CD1 4.4Å
88L83.3Confident76.9Confident13 Ų1370.1 Ų70.17%0.06839%0.391CS..Hα-helixtrans-61.9-39.8174.4-76.5169.3000112.3L77 V84 S92 L100 H109 L110L77-L88 HydrophobicContact CD1-CD1 4.4Å; L77-L88 HydrophobicContact CD1-CD2 3.51Å; L77-L88 HydrophobicContact CD1-CG 3.83Å; L77-L88 HydrophobicContact CD2-CG 4.35Å; V84-L88 HydrophobicContact CG1-CD1 3.76Å; V84-L88 WeakPolarHBondContact O-CB 3.29Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.87Å; L88-S92 VanDerWaalsContact O-CB 3.25Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.01Å; L88-S92 PolarHBondContact O-OG 3.32Å; L88-L100 HydrophobicContact CD2-CD2 3.92Å; L88-H109 WeakPolarHBondContact CD1-O 3.42Å; L88-L110 HydrophobicContact CD2-CD1 4.02Å
89L80.7Confident77.6Confident104 Ų10468 Ų6855%0.54538%0.378SS..Hα-helixtrans-65.4-43.7175.6-176.765.7000111.9G85 Q86 V87 S92 K93G85-L89 VanDerWaalsContact O-CB 3.28Å; G85-L89 WeakPolarHBondContact O-CB 3.33Å; G85-L89 PolarHBondContact O-N 2.86Å; Q86-L89 PolarHBondContact O-N 2.89Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.33Å; L89-S92 WeakPolarHBondContact CA-OG 3.42Å; L89-S92 PolarHBondContact O-OG 2.72Å; L89-K93 HydrophobicContact CD1-CG 4.44Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 WeakPolarHBondContact O-CG 3.23Å; L89-K93 PolarHBondContact O-N 3.25Å; L89-K93 VanDerWaalsContact O-N 3.08Å
90L80.9Confident78.6Confident78 Ų7866.5 Ų66.541%0.40837%0.368SS..Hα-helixtrans-68.8-38.5179.3-70.3172.7000111.8Q86 V87 G94 Y95 I96Q86-L90 WeakPolarHBondContact O-CB 3.27Å; Q86-L90 VanDerWaalsContact O-CG 3.27Å; Q86-L90 WeakPolarHBondContact O-CG 3.37Å; Q86-L90 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 2.85Å; L90-G94 PolarHBondContact O-N 3.5Å; L90-Y95 HydrophobicContact CD2-CD2 3.88Å; L90-Y95 HydrophobicContact CD2-CG 4.28Å; L90-Y95 WeakPolarHBondContact O-CB 3.37Å; L90-Y95 PolarHBondContact O-N 3.45Å; L90-I96 HydrophobicContact CB-CD1 3.59Å; L90-I96 HydrophobicContact CB-CG1 3.96Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å
91W86.3Confident79.7Confident1 Ų158.6 Ų58.60%0.00433%0.332CS..Hα-helixtrans-68.2-46.7176.4-169.688.8000112K49 I51 V87 K93 G94 I96 Q98 L100 V113 A115K49-W91 HydrophobicContact CB-CH2 3.62Å; K49-W91 HydrophobicContact CB-CZ2 3.73Å; K49-W91 HydrophobicContact CB-CZ3 4.36Å; K49-W91 HydrophobicContact CD-CH2 4.3Å; K49-W91 HydrophobicContact CD-CZ3 4.26Å; K49-W91 VanDerWaalsContact CE-O 3.27Å; K49-W91 WeakPolarHBondContact CE-O 3.45Å; K49-W91 HydrophobicContact CG-CH2 4.19Å; K49-W91 HydrophobicContact CG-CZ2 4.12Å; I51-W91 HydrophobicContact CD1-CH2 4.01Å; I51-W91 HydrophobicContact CD1-CZ3 4.32Å; I51-W91 HydrophobicContact CG1-CH2 3.62Å; I51-W91 HydrophobicContact CG1-CZ2 4.19Å; I51-W91 HydrophobicContact CG1-CZ3 4.37Å; V87-W91 WeakPolarHBondContact O-CB 3.21Å; V87-W91 PolarHBondContact O-N 2.96Å; W91-K93 VanDerWaalsContact C-N 3.26Å; W91-K93 PolarHBondContact O-N 3.02Å; W91-G94 PolarHBondContact O-N 2.89Å; W91-I96 HydrophobicContact CB-CB 4.26Å; W91-Q98 PolarHBondContact NE1-O 3.07Å; W91-L100 HydrophobicContact CD2-CB 4.49Å; W91-L100 HydrophobicContact CD2-CD2 4.13Å; W91-L100 HydrophobicContact CE3-CD2 4.22Å; W91-L100 HydrophobicContact CZ2-CB 3.96Å; W91-L100 HydrophobicContact CZ3-CD2 4.45Å; W91-V113 HydrophobicContact CZ3-CB 4.33Å; W91-A115 HydrophobicContact CH2-CB 4.3Å
92S78.8Confident80.9Confident35 Ų3557.4 Ų57.425%0.24532%0.319CS..Hα-helixtrans-62.6-31.8175.960.40000112.9K49 L88 L89 G94K49-S92 PolarHBondContact NZ-O 3.09Å; L88-S92 VanDerWaalsContact O-CB 3.25Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.01Å; L88-S92 PolarHBondContact O-OG 3.32Å; L89-S92 WeakPolarHBondContact CA-OG 3.42Å; L89-S92 PolarHBondContact O-OG 2.72Å; S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 3.37Å
93K79.3Confident82.1Confident148 Ų14852.6 Ų52.664%0.64328%0.279SS*.THydrogen-bonded Turntrans-81.4-1174.8-67.6-69.8-178.5-174.50114.7L89 W91 Y95L89-K93 HydrophobicContact CD1-CG 4.44Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 WeakPolarHBondContact O-CG 3.23Å; L89-K93 PolarHBondContact O-N 3.25Å; L89-K93 VanDerWaalsContact O-N 3.08Å; W91-K93 VanDerWaalsContact C-N 3.26Å; W91-K93 PolarHBondContact O-N 3.02Å; K93-Y95 VanDerWaalsContact C-N 3.32Å; K93-Y95 HydrophobicContact CB-CD2 3.52Å; K93-Y95 HydrophobicContact CB-CE2 3.53Å; K93-Y95 HydrophobicContact CG-CE2 4.32Å
94G73.6Confident82.9Confident32 Ų3249.1 Ų49.133%0.3326%0.263SS..THydrogen-bonded Turntrans7517.6178.600000114.4L90 W91 S92 I96 N97L90-G94 PolarHBondContact O-N 3.5Å; W91-G94 PolarHBondContact O-N 2.89Å; S92-G94 VanDerWaalsContact C-N 3.3Å; S92-G94 PolarHBondContact O-N 3.37Å; G94-I96 VanDerWaalsContact C-N 3.25Å; G94-N97 PolarHBondContact O-OD1 3.3Å; G94-N97 VanDerWaalsContact O-OD1 3.11Å
95Y77.7Confident83Confident177 Ų17750.3 Ų50.369%0.69428%0.279SS*.SBendtrans-79.1-15.6170-64.5-69.1000112.2L90 K93L90-Y95 HydrophobicContact CD2-CD2 3.88Å; L90-Y95 HydrophobicContact CD2-CG 4.28Å; L90-Y95 WeakPolarHBondContact O-CB 3.37Å; L90-Y95 PolarHBondContact O-N 3.45Å; K93-Y95 VanDerWaalsContact C-N 3.32Å; K93-Y95 HydrophobicContact CB-CD2 3.52Å; K93-Y95 HydrophobicContact CB-CE2 3.53Å; K93-Y95 HydrophobicContact CG-CE2 4.32Å
96I81.8Confident83.3Confident34 Ų3447.8 Ų47.817%0.17425%0.253CS..  trans-130.1119.1178.2-59.4176.4000107I75 V87 L90 W91 G94 Q98I75-I96 HydrophobicContact CD1-CB 4.46Å; I75-I96 HydrophobicContact CD1-CD1 4.39Å; I75-I96 HydrophobicContact CD1-CG2 3.08Å; V87-I96 HydrophobicContact CG1-CD1 4.4Å; L90-I96 HydrophobicContact CB-CD1 3.59Å; L90-I96 HydrophobicContact CB-CG1 3.96Å; L90-I96 HydrophobicContact CD1-CD1 4.34Å; W91-I96 HydrophobicContact CB-CB 4.26Å; G94-I96 VanDerWaalsContact C-N 3.25Å; I96-Q98 HydrophobicContact CG2-CB 4.48Å
97N77.9Confident83.4Confident58 Ų5842.8 Ų42.831%0.3123%0.23SC..  trans-109.73.1-176.4-50.6-28.6000113.5A45 N46 G94A45-N97 WeakPolarHBondContact O-CB 3.07Å; N46-N97 PolarHBondContact OD1-ND2 3.24Å; G94-N97 PolarHBondContact O-OD1 3.3Å; G94-N97 VanDerWaalsContact O-OD1 3.11Å
98Q85.9Confident83.1Confident82 Ų8247 Ų4738%0.38325%0.247SC..SBendtrans-69.9148.3175.9-66.9178.35.600110.8N73 I75 W91 I96N73-Q98 HydrophobicContact CB-CG 4.41Å; I75-Q98 HydrophobicContact CD1-CB 3.95Å; I75-Q98 HydrophobicContact CG1-CB 4.08Å; W91-Q98 PolarHBondContact NE1-O 3.07Å; I96-Q98 HydrophobicContact CG2-CB 4.48Å
99A88.1Confident82.7Confident11 Ų1151.3 Ų51.39%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-63138.1175.300000110.8L40 T50 L52 T74 I75L40-A99 HydrophobicContact CD2-CB 3.88Å; T50-A99 HydrophobicContact CG2-CB 4.47Å; T50-A99 WeakPolarHBondContact O-CA 3.27Å; L52-A99 HydrophobicContact CD1-CB 3.81Å; T74-A99 WeakPolarHBondContact CA-O 3.23Å; T74-A99 HydrophobicContact CG2-CB 4.22Å; I75-A99 PolarHBondContact N-O 2.87Å
100L90.1Very high82.4Confident0 Ų046.5 Ų46.50%024%0.242CC..EExtended strand (participates in β ladder)trans-97.7114.8-173.4-166.769.6000109.8T50 I51 L52 I75 L77 L88 W91 L102T50-L100 PolarHBondContact O-N 3.34Å; I51-L100 CarbonylContact C-O 3.42Å; I51-L100 WeakPolarHBondContact CA-O 3.49Å; I51-L100 HydrophobicContact CG1-CB 4.5Å; L52-L100 PolarHBondContact N-O 3.24Å; I75-L100 HydrophobicContact CB-CD1 4.28Å; I75-L100 HydrophobicContact CG2-CD1 4.01Å; I75-L100 CarbonylContact O-C 3.6Å; I75-L100 WeakPolarHBondContact O-CA 3.27Å; L77-L100 HydrophobicContact CD1-CD1 3.57Å; L77-L100 HydrophobicContact CD1-CD2 3.6Å; L77-L100 HydrophobicContact CD1-CG 3.72Å; L77-L100 HydrophobicContact CG-CD1 3.77Å; L77-L100 HydrophobicContact CG-CG 4.33Å; L88-L100 HydrophobicContact CD2-CD2 3.92Å; W91-L100 HydrophobicContact CD2-CB 4.49Å; W91-L100 HydrophobicContact CD2-CD2 4.13Å; W91-L100 HydrophobicContact CE3-CD2 4.22Å; W91-L100 HydrophobicContact CZ2-CB 3.96Å; W91-L100 HydrophobicContact CZ3-CD2 4.45Å; L100-L102 HydrophobicContact CD2-CD2 4.13Å; L100-L102 HydrophobicContact CG-CD2 4.41Å
101I91.4Very high81.9Confident0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-92.1129.6172.9-54.2173.1000108.7L52 A60 L63 K64 L67 T74 I75 L76 L77L52-I101 HydrophobicContact CB-CB 4.41Å; L52-I101 HydrophobicContact CB-CG1 3.97Å; L52-I101 HydrophobicContact CD1-CD1 4.39Å; L52-I101 HydrophobicContact CD1-CG1 3.63Å; L52-I101 HydrophobicContact CG-CG1 4.44Å; L52-I101 WeakPolarHBondContact O-CA 3.46Å; A60-I101 HydrophobicContact CB-CG2 3.73Å; L63-I101 HydrophobicContact CD2-CD1 4.42Å; L63-I101 HydrophobicContact CD2-CG2 4.23Å; L63-I101 HydrophobicContact CG-CD1 4.35Å; K64-I101 HydrophobicContact CB-CD1 3.83Å; K64-I101 HydrophobicContact CG-CD1 4.44Å; L67-I101 HydrophobicContact CD1-CD1 4.25Å; T74-I101 HydrophobicContact CG2-CD1 4.1Å; T74-I101 HydrophobicContact CG2-CG1 4.41Å; T74-I101 VanDerWaalsContact OG1-CD1 3.22Å; T74-I101 WeakPolarHBondContact OG1-CD1 3.49Å; I75-I101 PolarHBondContact O-N 3.47Å; L76-I101 WeakPolarHBondContact CA-O 3.49Å; L76-I101 HydrophobicContact CD1-CB 4.1Å; L76-I101 HydrophobicContact CD1-CG2 3.9Å; L77-I101 PolarHBondContact N-O 3.28Å
102L90.6Very high81.1Confident0 Ų050.6 Ų50.60%028%0.278CS..EExtended strand (participates in β ladder)trans-142.6158.9178.158.196.8000111.8I51 L52 I53 C54 L100 L107 L110I51-L102 HydrophobicContact CG2-CD1 4.43Å; I51-L102 HydrophobicContact CG2-CD2 3.41Å; I51-L102 VanDerWaalsContact CG2-CD2 3.41Å; I51-L102 HydrophobicContact CG2-CG 3.93Å; L52-L102 PolarHBondContact O-N 3.25Å; I53-L102 WeakPolarHBondContact CA-O 3.49Å; I53-L102 HydrophobicContact CB-CD1 4.31Å; I53-L102 HydrophobicContact CD1-CD1 4.29Å; I53-L102 HydrophobicContact CG1-CD1 3.81Å; I53-L102 HydrophobicContact CG1-CG 4.32Å; I53-L102 HydrophobicContact CG2-CD1 4.01Å; C54-L102 PolarHBondContact N-O 3Å; L100-L102 HydrophobicContact CD2-CD2 4.13Å; L100-L102 HydrophobicContact CG-CD2 4.41Å; L102-L107 HydrophobicContact CD1-CD2 3.5Å; L102-L107 VanDerWaalsContact CD1-CD2 3.5Å; L102-L107 HydrophobicContact CD1-CG 4.14Å; L102-L110 HydrophobicContact CD2-CD1 3.43Å; L102-L110 VanDerWaalsContact CD2-CD1 3.43Å
103C90Very high80.9Confident5 Ų549.1 Ų49.13%0.03427%0.268CS..EExtended strand (participates in β ladder)trans-109.5166.7172.564.40000111.5C54 G105 I106C54-C103 CarbonylContact O-C 3.5Å; C54-C103 WeakPolarHBondContact O-CA 3.39Å; C103-G105 PolarHBondContact O-N 3.02Å; C103-G105 VanDerWaalsContact O-N 3.1Å; C103-I106 PolarHBondContact O-N 3.34Å
104D85.4Confident80.5Confident36 Ų3649.6 Ų49.619%0.19327%0.272CS..G310 helixtrans-52.3-37-179.8-75.9-26.7000113.6C54 I106 L107 R132C54-D104 PolarHBondContact O-N 3.01Å; D104-I106 PolarHBondContact O-N 3.4Å; D104-L107 HydrophobicContact CB-CD1 4.34Å; D104-L107 PolarHBondContact O-N 2.81Å; D104-L107 VanDerWaalsContact O-N 3.11Å; D104-L107 VanDerWaalsContact OD1-CD1 3.31Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.23Å; D104-R132 IonicContact OD1-CZ 2.74Å; D104-R132 IonicContact OD1-NE 2.72Å; D104-R132 PolarHBondContact OD1-NE 3.3Å; D104-R132 IonicContact OD1-NH2 3.88Å; D104-R132 PolarHBondContact OD1-NH2 2.81Å; D104-R132 IonicContact OD2-CZ 3.77Å; D104-R132 IonicContact OD2-NE 3.6Å; D104-R132 IonicContact OD2-NH2 3.23Å; D104-R132 PolarHBondContact OD2-NH2 3.14Å
105G81.9Confident80.9Confident45 Ų4548.4 Ų48.446%0.46426%0.259SS..G310 helixtrans-63.9-1.817800000116C103C103-G105 PolarHBondContact O-N 3.02Å; C103-G105 VanDerWaalsContact O-N 3.1Å
106I83.4Confident81.2Confident2 Ų243.5 Ų43.51%0.0125%0.245CC..G310 helixtrans-114.7-10.2178.7-52.8-175.4000111.8L77 P78 P79 V84 C103 D104 E108 H109 L110L77-I106 HydrophobicContact CB-CD1 3.89Å; L77-I106 WeakPolarHBondContact O-CD1 3.4Å; P78-I106 VanDerWaalsContact C-CD1 3.4Å; P79-I106 VanDerWaalsContact CA-CD1 3.43Å; P79-I106 HydrophobicContact CB-CD1 3.96Å; P79-I106 HydrophobicContact CB-CG1 3.69Å; P79-I106 VanDerWaalsContact N-CD1 3.35Å; V84-I106 HydrophobicContact CG1-CG2 4.49Å; C103-I106 PolarHBondContact O-N 3.34Å; D104-I106 PolarHBondContact O-N 3.4Å; I106-E108 VanDerWaalsContact C-N 3.26Å; I106-E108 PolarHBondContact O-N 3.28Å; I106-H109 HydrophobicContact CG2-CB 4.27Å; I106-H109 WeakPolarHBondContact O-CA 3.19Å; I106-H109 WeakPolarHBondContact O-CB 3.37Å; I106-H109 PolarHBondContact O-N 3.26Å; I106-L110 PolarHBondContact O-N 2.84Å
107L81.9Confident81.3Confident5 Ų542 Ų423%0.02624%0.237CC..G310 helixtrans-60.3-36.3-174.6-71.8170.6000112.7I53 L102 D104 H109 L110 R132 W135 L136I53-L107 HydrophobicContact CD1-CD2 4.16Å; L102-L107 HydrophobicContact CD1-CD2 3.5Å; L102-L107 VanDerWaalsContact CD1-CD2 3.5Å; L102-L107 HydrophobicContact CD1-CG 4.14Å; D104-L107 HydrophobicContact CB-CD1 4.34Å; D104-L107 PolarHBondContact O-N 2.81Å; D104-L107 VanDerWaalsContact O-N 3.11Å; D104-L107 VanDerWaalsContact OD1-CD1 3.31Å; D104-L107 WeakPolarHBondContact OD1-CD1 3.23Å; L107-H109 PolarHBondContact O-N 2.85Å; L107-L110 VanDerWaalsContact O-CB 3.31Å; L107-L110 WeakPolarHBondContact O-CB 3.38Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-R132 HydrophobicContact CD1-CB 3.95Å; L107-R132 HydrophobicContact CD1-CG 3.64Å; L107-W135 HydrophobicContact CB-CB 4.15Å; L107-W135 HydrophobicContact CB-CG 4.32Å; L107-L136 HydrophobicContact CD2-CD2 4.28Å
108E76.8Confident81.9Confident121 Ų12139.2 Ų39.257%0.56522%0.222SC*.G310 helixtrans-63.5-26.7174.671-177.1172.600113I106 W135I106-E108 VanDerWaalsContact C-N 3.26Å; I106-E108 PolarHBondContact O-N 3.28Å; E108-W135 HydrophobicContact CB-CH2 4.26Å; E108-W135 HydrophobicContact CB-CZ2 4.13Å
109H74.6Confident82.1Confident103 Ų10335.3 Ų35.348%0.47720%0.204SC..G310 helixtrans-90.8-6.1-178.8-64.989.3000113.1L88 I106 L107 G111L88-H109 WeakPolarHBondContact CD1-O 3.42Å; I106-H109 HydrophobicContact CG2-CB 4.27Å; I106-H109 WeakPolarHBondContact O-CA 3.19Å; I106-H109 WeakPolarHBondContact O-CB 3.37Å; I106-H109 PolarHBondContact O-N 3.26Å; L107-H109 PolarHBondContact O-N 2.85Å; H109-G111 PolarHBondContact O-N 3.15Å
110L74.5Confident82.2Confident4 Ų434.8 Ų34.82%0.02120%0.199CC..  trans-65.9-27.1-174.2-15079000112.2I51 L88 L102 I106 L107 V113I51-L110 HydrophobicContact CD1-CD2 4.05Å; L88-L110 HydrophobicContact CD2-CD1 4.02Å; L102-L110 HydrophobicContact CD2-CD1 3.43Å; L102-L110 VanDerWaalsContact CD2-CD1 3.43Å; I106-L110 PolarHBondContact O-N 2.84Å; L107-L110 VanDerWaalsContact O-CB 3.31Å; L107-L110 WeakPolarHBondContact O-CB 3.38Å; L107-L110 PolarHBondContact O-N 3.44Å; L110-V113 HydrophobicContact CD2-CG2 3.54Å; L110-V113 HydrophobicContact CG-CG2 3.67Å; L110-V113 VanDerWaalsContact O-CG1 3.31Å; L110-V113 WeakPolarHBondContact O-CG1 3.32Å
111G70.4Confident82.1Confident42 Ų4235.9 Ų35.943%0.43321%0.206SC..  trans62.5-153.5-177.600000112.1H109 S139H109-G111 PolarHBondContact O-N 3.15Å; G111-S139 VanDerWaalsContact O-CA 3.31Å; G111-S139 WeakPolarHBondContact O-CA 3.15Å; G111-S139 WeakPolarHBondContact O-CB 3.47Å; G111-S139 PolarHBondContact O-OG 2.82Å
112V69.1Low81.8Confident122 Ų12237.7 Ų37.774%0.73922%0.217SC*.SBendtrans-92.4113.3173.1-1780000108.8
113V74.3Confident81.3Confident5 Ų540.8 Ų40.83%0.0323%0.233CC..  trans-132.8119.3-177.6-72.60000111.7I51 W91 L110 A115 S139I51-V113 HydrophobicContact CD1-CG2 4.3Å; W91-V113 HydrophobicContact CZ3-CB 4.33Å; L110-V113 HydrophobicContact CD2-CG2 3.54Å; L110-V113 HydrophobicContact CG-CG2 3.67Å; L110-V113 VanDerWaalsContact O-CG1 3.31Å; L110-V113 WeakPolarHBondContact O-CG1 3.32Å; V113-A115 PolarHBondContact O-N 2.82Å; V113-S139 CarbonylContact C-O 3.6Å; V113-S139 VanDerWaalsContact C-O 3.25Å; V113-S139 PolarHBondContact N-O 3.35Å; V113-S139 CarbonylContact O-C 3.58Å
114E72.3Confident80.8Confident158 Ų15841.1 Ų41.174%0.73824%0.236SC*.  trans-68.8103.8172.6-70.8177.6172.100110K49K49-E114 WeakPolarHBondContact CD-O 3.26Å
115A80.9Confident80.5Confident6 Ų644.2 Ų44.25%0.0525%0.249CC..  trans-111.1139.9170.300000109.2I51 W91 V113 V118 A140 A143I51-A115 HydrophobicContact CD1-CB 3.62Å; I51-A115 HydrophobicContact CG1-CB 3.93Å; W91-A115 HydrophobicContact CH2-CB 4.3Å; V113-A115 PolarHBondContact O-N 2.82Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; A115-A140 HydrophobicContact CB-CB 4.06Å; A115-A143 VanDerWaalsContact O-CB 3.27Å; A115-A143 WeakPolarHBondContact O-CB 3.2Å
116N83.4Confident80.1Confident75 Ų7547.8 Ų47.840%0.40126%0.257SS..SBendtrans-91-32179.5-58.492.9000111.6E48 K49 E144E48-N116 HydrophobicContact CB-CB 4.32Å; K49-N116 PolarHBondContact N-OD1 3.21Å; K49-N116 PolarHBondContact O-N 3.27Å; N116-E144 PolarHBondContact O-N 2.91Å
117L85.6Confident79.6Confident1 Ų153.5 Ų53.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-138.3133.4-179.5179.469.5000109.9T39 K49 T50 I51 I119 E144 L146T39-L117 HydrophobicContact CG2-CD2 4.36Å; K49-L117 PolarHBondContact O-N 3.05Å; T50-L117 CarbonylContact C-O 3.53Å; T50-L117 WeakPolarHBondContact CA-O 3.45Å; T50-L117 HydrophobicContact CG2-CB 4.18Å; T50-L117 HydrophobicContact CG2-CD2 3.87Å; T50-L117 HydrophobicContact CG2-CG 4.15Å; I51-L117 PolarHBondContact N-O 3.37Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.73Å; L117-I119 HydrophobicContact CD2-CG1 3.77Å; L117-I119 HydrophobicContact CG-CD1 4.36Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; L117-E144 WeakPolarHBondContact CA-O 3.36Å; L117-E144 HydrophobicContact CD1-CB 3.93Å; L117-E144 HydrophobicContact CD1-CG 4.04Å; L117-E144 WeakPolarHBondContact CD1-O 3.49Å; L117-L146 HydrophobicContact CD1-CB 4.19Å
118V89Confident79.3Confident0 Ų057.9 Ų57.90%031%0.306CS..EExtended strand (participates in β ladder)trans-119.8122.2170.6178.90000108.2I51 I53 A115 L136 A140 A143 E144 M145 L146I51-V118 HydrophobicContact CB-CG2 4.32Å; I51-V118 CarbonylContact O-C 3.6Å; I51-V118 WeakPolarHBondContact O-CA 3.41Å; I53-V118 HydrophobicContact CD1-CG1 3.44Å; I53-V118 VanDerWaalsContact CD1-CG1 3.44Å; I53-V118 HydrophobicContact CG1-CG1 4.01Å; A115-V118 HydrophobicContact CB-CG2 4.45Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.35Å; V118-L136 HydrophobicContact CG2-CD2 4.47Å; V118-A140 HydrophobicContact CG2-CB 4.22Å; V118-A143 HydrophobicContact CG2-CB 3.85Å; V118-E144 PolarHBondContact N-O 2.84Å; V118-M145 HydrophobicContact CB-CE 4.4Å; V118-M145 HydrophobicContact CB-SD 3.6Å; V118-M145 HydrophobicContact CG1-SD 4Å; V118-M145 HydrophobicContact CG2-CE 4.31Å; V118-M145 HydrophobicContact CG2-SD 4.16Å; V118-M145 WeakPolarHBondContact O-CA 3.19Å; V118-L146 PolarHBondContact O-N 2.91Å
119I90.8Very high79.6Confident0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-109.9117.9179.7-49.1179.9000108.9L36 T39 L40 T50 I51 L52 I53 L117 T121 L146 I148L36-I119 HydrophobicContact CD1-CD1 3.89Å; L36-I119 HydrophobicContact CD1-CG2 3.74Å; T39-I119 HydrophobicContact CG2-CD1 4.48Å; L40-I119 HydrophobicContact CD2-CD1 4.36Å; T50-I119 HydrophobicContact CG2-CD1 4.03Å; T50-I119 HydrophobicContact CG2-CG1 4.24Å; I51-I119 PolarHBondContact O-N 3.18Å; L52-I119 WeakPolarHBondContact CA-O 3.23Å; L52-I119 HydrophobicContact CD2-CB 3.99Å; L52-I119 HydrophobicContact CD2-CD1 3.97Å; L52-I119 HydrophobicContact CD2-CG1 4.44Å; L52-I119 HydrophobicContact CD2-CG2 4.35Å; I53-I119 PolarHBondContact N-O 2.82Å; L117-I119 HydrophobicContact CD1-CG1 4.42Å; L117-I119 HydrophobicContact CD2-CD1 3.73Å; L117-I119 HydrophobicContact CD2-CG1 3.77Å; L117-I119 HydrophobicContact CG-CD1 4.36Å; L117-I119 HydrophobicContact CG-CG1 3.83Å; I119-T121 HydrophobicContact CG2-CG2 4.09Å; I119-T121 PolarHBondContact O-N 3.07Å; I119-L146 CarbonylContact C-O 3.59Å; I119-L146 VanDerWaalsContact CA-O 3.27Å; I119-L146 WeakPolarHBondContact CA-O 3.29Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.24Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.11Å; I119-L146 HydrophobicContact CG2-CG 4.27Å; I119-I148 HydrophobicContact CG2-CD1 4.12Å; I119-I148 HydrophobicContact CG2-CG1 4.28Å
120H90.9Very high79.8Confident0 Ų053.5 Ų53.50%029%0.286CS..EExtended strand (participates in β ladder)trans-87.7102.1172.1-59.9-106.4000108L123 F129 R132 L146 V147 I148H120-L123 HydrophobicContact CB-CD2 4.46Å; H120-F129 AromaticContact CE1-CE2 3.83Å; H120-F129 AromaticContact ND1-CE2 3.58Å; H120-R132 WeakPolarHBondContact ND1-CD 3.47Å; H120-R132 PolarHBondContact ND1-NH1 3.15Å; H120-L146 PolarHBondContact N-O 3.3Å; H120-V147 HydrophobicContact CB-CG1 4.4Å; H120-V147 HydrophobicContact CB-CG2 4.2Å; H120-I148 PolarHBondContact O-N 2.82Å
121T87.2Confident80.1Confident23 Ų2358.6 Ų58.614%0.14131%0.31CS..SBendtrans-85.4-24.8-178.459.10000112.4L36 L52 I53 C54 L63 I119L36-T121 HydrophobicContact CD1-CG2 4.12Å; L36-T121 HydrophobicContact CD2-CG2 4.22Å; L52-T121 HydrophobicContact CD2-CG2 3.95Å; I53-T121 PolarHBondContact O-N 2.75Å; I53-T121 PolarHBondContact O-OG1 3.4Å; I53-T121 VanDerWaalsContact O-OG1 3.13Å; C54-T121 PolarHBondContact SG-OG1 3.15Å; L63-T121 HydrophobicContact CD2-CG2 3.8Å; I119-T121 HydrophobicContact CG2-CG2 4.09Å; I119-T121 PolarHBondContact O-N 3.07Å
122T84.9Confident80.9Confident38 Ų3856.7 Ų56.723%0.23329%0.289CS..SBendtrans-133.7136.916950.30000109.8C54 Q55 E59 R132C54-T122 VanDerWaalsContact CA-OG1 3.31Å; C54-T122 WeakPolarHBondContact CA-OG1 3.46Å; Q55-T122 PolarHBondContact N-OG1 2.94Å; E59-T122 WeakPolarHBondContact OE2-CG2 3.44Å; E59-T122 PolarHBondContact OE2-OG1 2.86Å; T122-R132 PolarHBondContact O-NH1 3.07Å
123L81.2Confident81.5Confident65 Ų6553.1 Ų53.134%0.3427%0.266SS..PPolyproline II helixtrans-99.4120.1-178.5-79.1172.8000110.2H120 F129 V147 T149H120-L123 HydrophobicContact CB-CD2 4.46Å; L123-F129 HydrophobicContact CD2-CD2 3.87Å; L123-F129 HydrophobicContact CD2-CE2 3.51Å; L123-F129 HydrophobicContact CD2-CZ 4.06Å; L123-V147 HydrophobicContact CD1-CG1 3.56Å; L123-V147 HydrophobicContact CD2-CG1 3.62Å; L123-V147 HydrophobicContact CG-CG1 3.72Å; L123-T149 HydrophobicContact CD1-CG2 4.4Å
124P79.2Confident81.8Confident13 Ų1359.6 Ų59.68%0.08429%0.293CS..PPolyproline II helixtrans-80.4171.517236.8-34.2000110Q55 K128 F129Q55-P124 HydrophobicContact CG-CB 4.17Å; P124-K128 HydrophobicContact CB-CB 3.89Å; P124-K128 HydrophobicContact CG-CB 4.2Å; P124-F129 HydrophobicContact CG-CB 3.97Å; P124-F129 HydrophobicContact CG-CD2 4.26Å
125E77.6Confident82.2Confident101 Ų10156.2 Ų56.247%0.47227%0.274SS..PPolyproline II helixtrans-57.3154172.6-68.9174-157.700112.9N127 K128 F129 N911E125-N127 VanDerWaalsContact C-N 3.3Å; E125-N127 PolarHBondContact O-N 2.96Å; E125-N127 VanDerWaalsContact O-N 3.1Å; E125-K128 PolarHBondContact O-N 3.31Å; E125-F129 PolarHBondContact O-N 3.39Å; E125-N911 VanDerWaalsContact OE1-CG 3.25Å; E125-N911 PolarHBondContact OE1-ND2 3.01Å; E125-N911 PolarHBondContact OE2-ND2 3.23Å
126L74.2Confident82.2Confident119 Ų11956 Ų5662%0.62327%0.272SS*.Hα-helixtrans-47.6-47.4-170-170.269.2000113.5K128 F129 E130L126-K128 PolarHBondContact O-N 3.27Å; L126-F129 WeakPolarHBondContact O-CB 3.4Å; L126-F129 PolarHBondContact O-N 2.73Å; L126-F129 VanDerWaalsContact O-N 3.16Å; L126-E130 WeakPolarHBondContact O-CG 3.43Å; L126-E130 PolarHBondContact O-N 3.08Å
127N73.4Confident81.7Confident123 Ų12355.9 Ų55.966%0.65828%0.277SS*.Hα-helixtrans-62.2-40.7-179.4-64.5-16.7000112.9E125 E131E125-N127 VanDerWaalsContact C-N 3.3Å; E125-N127 PolarHBondContact O-N 2.96Å; E125-N127 VanDerWaalsContact O-N 3.1Å; N127-E131 PolarHBondContact O-N 3.5Å; N127-E131 VanDerWaalsContact O-N 3.14Å
128K75.6Confident80.8Confident96 Ų9659.6 Ų59.642%0.41730%0.296SS..Hα-helixtrans-75.2-31.3176.6-75.2-175.4178.9175.40111.6P124 E125 L126 E131 R132P124-K128 HydrophobicContact CB-CB 3.89Å; P124-K128 HydrophobicContact CG-CB 4.2Å; E125-K128 PolarHBondContact O-N 3.31Å; L126-K128 PolarHBondContact O-N 3.27Å; K128-E131 PolarHBondContact O-N 3.07Å; K128-R132 WeakPolarHBondContact O-CB 3.41Å; K128-R132 PolarHBondContact O-N 3.27Å
129F82.4Confident79.8Confident22 Ų2259.8 Ų59.810%0.09630%0.298CS..Hα-helixtrans-67.2-42.1174.1-172.2-113.7000111.2F21 H120 L123 P124 E125 L126 E131 R132 L133F21-F129 HydrophobicContact CE1-CZ 4.37Å; H120-F129 AromaticContact CE1-CE2 3.83Å; H120-F129 AromaticContact ND1-CE2 3.58Å; L123-F129 HydrophobicContact CD2-CD2 3.87Å; L123-F129 HydrophobicContact CD2-CE2 3.51Å; L123-F129 HydrophobicContact CD2-CZ 4.06Å; P124-F129 HydrophobicContact CG-CB 3.97Å; P124-F129 HydrophobicContact CG-CD2 4.26Å; E125-F129 PolarHBondContact O-N 3.39Å; L126-F129 WeakPolarHBondContact O-CB 3.4Å; L126-F129 PolarHBondContact O-N 2.73Å; L126-F129 VanDerWaalsContact O-N 3.16Å; F129-E131 VanDerWaalsContact C-N 3.34Å; F129-E131 PolarHBondContact O-N 3.07Å; F129-R132 WeakPolarHBondContact O-CB 3.32Å; F129-R132 PolarHBondContact O-N 3.45Å; F129-L133 HydrophobicContact CD1-CD1 3.99Å; F129-L133 HydrophobicContact CD1-CG 4.43Å; F129-L133 HydrophobicContact CE1-CD1 3.66Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CZ-CD1 4.2Å; F129-L133 HydrophobicContact CZ-CD2 4.31Å; F129-L133 HydrophobicContact CZ-CG 4.33Å; F129-L133 WeakPolarHBondContact O-CG 3.31Å; F129-L133 PolarHBondContact O-N 2.88Å
130E79.7Confident78.5Confident111 Ų11160 Ų6052%0.51930%0.299SS..Hα-helixtrans-61-41.3172.6-74.1179.6-179.100111.9L126 L133 K134L126-E130 WeakPolarHBondContact O-CG 3.43Å; L126-E130 PolarHBondContact O-N 3.08Å; E130-L133 PolarHBondContact O-N 2.89Å; E130-K134 PolarHBondContact O-N 2.85Å
131E79.4Confident77.2Confident111 Ų11169.4 Ų69.452%0.51933%0.334SS..Hα-helixtrans-64-43.9174.3-166.9177.5-165.400112N127 K128 F129 L133 K134 W135N127-E131 PolarHBondContact O-N 3.5Å; N127-E131 VanDerWaalsContact O-N 3.14Å; K128-E131 PolarHBondContact O-N 3.07Å; F129-E131 VanDerWaalsContact C-N 3.34Å; F129-E131 PolarHBondContact O-N 3.07Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 3.33Å; E131-K134 WeakPolarHBondContact O-CB 3.46Å; E131-K134 PolarHBondContact O-N 3.21Å; E131-W135 PolarHBondContact O-N 2.83Å; E131-W135 VanDerWaalsContact O-N 3.11Å
132R87.4Confident76.3Confident2 Ų276.4 Ų76.41%0.00837%0.371CS..Hα-helixtrans-56.1-45.6172.5174-175.3-63.3-178.510.8111D104 L107 H120 T122 K128 F129 W135 L136D104-R132 IonicContact OD1-CZ 2.74Å; D104-R132 IonicContact OD1-NE 2.72Å; D104-R132 PolarHBondContact OD1-NE 3.3Å; D104-R132 IonicContact OD1-NH2 3.88Å; D104-R132 PolarHBondContact OD1-NH2 2.81Å; D104-R132 IonicContact OD2-CZ 3.77Å; D104-R132 IonicContact OD2-NE 3.6Å; D104-R132 IonicContact OD2-NH2 3.23Å; D104-R132 PolarHBondContact OD2-NH2 3.14Å; L107-R132 HydrophobicContact CD1-CB 3.95Å; L107-R132 HydrophobicContact CD1-CG 3.64Å; H120-R132 WeakPolarHBondContact ND1-CD 3.47Å; H120-R132 PolarHBondContact ND1-NH1 3.15Å; T122-R132 PolarHBondContact O-NH1 3.07Å; K128-R132 WeakPolarHBondContact O-CB 3.41Å; K128-R132 PolarHBondContact O-N 3.27Å; F129-R132 WeakPolarHBondContact O-CB 3.32Å; F129-R132 PolarHBondContact O-N 3.45Å; R132-W135 PolarHBondContact O-N 2.97Å; R132-L136 HydrophobicContact CG-CD1 3.89Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.3Å; R132-L136 PolarHBondContact O-N 3.07Å
133L83.1Confident75.9Confident46 Ų4674.9 Ų74.924%0.24136%0.362CS..Hα-helixtrans-66-36.2177.9-70.4-179.4000112.6F21 F129 E130 E131 W135 L136 S137F21-L133 HydrophobicContact CE1-CD2 3.75Å; F21-L133 HydrophobicContact CZ-CD1 4.05Å; F21-L133 HydrophobicContact CZ-CD2 3.6Å; F129-L133 HydrophobicContact CD1-CD1 3.99Å; F129-L133 HydrophobicContact CD1-CG 4.43Å; F129-L133 HydrophobicContact CE1-CD1 3.66Å; F129-L133 HydrophobicContact CE1-CG 4.2Å; F129-L133 HydrophobicContact CZ-CD1 4.2Å; F129-L133 HydrophobicContact CZ-CD2 4.31Å; F129-L133 HydrophobicContact CZ-CG 4.33Å; F129-L133 WeakPolarHBondContact O-CG 3.31Å; F129-L133 PolarHBondContact O-N 2.88Å; E130-L133 PolarHBondContact O-N 2.89Å; E131-L133 VanDerWaalsContact C-N 3.31Å; E131-L133 PolarHBondContact O-N 3.33Å; L133-W135 PolarHBondContact O-N 2.88Å; L133-L136 PolarHBondContact O-N 2.75Å; L133-S137 WeakPolarHBondContact O-CB 3.32Å; L133-S137 PolarHBondContact O-N 3.22Å
134K80.4Confident76Confident142 Ų14275.5 Ų75.562%0.61736%0.363SS*.Hα-helixtrans-59.8-46.6174.4-173.6-179.5178.3-177.60111.1E130 E131 S137 I138E130-K134 PolarHBondContact O-N 2.85Å; E131-K134 WeakPolarHBondContact O-CB 3.46Å; E131-K134 PolarHBondContact O-N 3.21Å; K134-S137 PolarHBondContact O-N 2.8Å; K134-S137 PolarHBondContact O-OG 2.81Å; K134-I138 PolarHBondContact O-N 2.84Å
135W80.5Confident76.4Confident87 Ų8775.3 Ų75.333%0.3336%0.361SS..Hα-helixtrans-64.6-43.8176.1-70114000112.2L107 E108 E131 R132 L133 S137 I138 S139L107-W135 HydrophobicContact CB-CB 4.15Å; L107-W135 HydrophobicContact CB-CG 4.32Å; E108-W135 HydrophobicContact CB-CH2 4.26Å; E108-W135 HydrophobicContact CB-CZ2 4.13Å; E131-W135 PolarHBondContact O-N 2.83Å; E131-W135 VanDerWaalsContact O-N 3.11Å; R132-W135 PolarHBondContact O-N 2.97Å; L133-W135 PolarHBondContact O-N 2.88Å; W135-S137 VanDerWaalsContact C-N 3.3Å; W135-S137 PolarHBondContact O-N 2.83Å; W135-I138 HydrophobicContact CE3-CD1 4.33Å; W135-I138 WeakPolarHBondContact O-CB 3.38Å; W135-I138 PolarHBondContact O-N 2.92Å; W135-I138 VanDerWaalsContact O-N 3.12Å; W135-S139 WeakPolarHBondContact O-CB 3.05Å; W135-S139 PolarHBondContact O-N 2.88Å; W135-S139 PolarHBondContact O-OG 2.9Å; W135-S139 VanDerWaalsContact O-OG 3.12Å
136L79.7Confident76.8Confident1 Ų171.1 Ų71.11%0.00534%0.342CS..Hα-helixtrans-65.4-31177.6-67.6168.8000113.1I53 L107 V118 R132 L133 I138 S139 A140 M145I53-L136 HydrophobicContact CD1-CD1 3.67Å; I53-L136 HydrophobicContact CD1-CD2 3.79Å; I53-L136 HydrophobicContact CD1-CG 4.23Å; L107-L136 HydrophobicContact CD2-CD2 4.28Å; V118-L136 HydrophobicContact CG1-CD1 4.1Å; V118-L136 HydrophobicContact CG1-CD2 4.35Å; V118-L136 HydrophobicContact CG2-CD2 4.47Å; R132-L136 HydrophobicContact CG-CD1 3.89Å; R132-L136 VanDerWaalsContact O-CG 3.3Å; R132-L136 WeakPolarHBondContact O-CG 3.3Å; R132-L136 PolarHBondContact O-N 3.07Å; L133-L136 PolarHBondContact O-N 2.75Å; L136-I138 PolarHBondContact O-N 2.82Å; L136-S139 PolarHBondContact O-N 3.29Å; L136-A140 HydrophobicContact CD2-CB 4.49Å; L136-A140 CarbonylContact O-C 3.5Å; L136-A140 WeakPolarHBondContact O-CA 3.14Å; L136-A140 PolarHBondContact O-N 3.47Å; L136-M145 HydrophobicContact CB-CE 4.43Å
137S72.9Confident77.5Confident73 Ų7365.4 Ų65.451%0.5131%0.313SS..Hα-helixtrans-66.2-26.7175770000113L133 K134 W135 R141L133-S137 WeakPolarHBondContact O-CB 3.32Å; L133-S137 PolarHBondContact O-N 3.22Å; K134-S137 PolarHBondContact O-N 2.8Å; K134-S137 PolarHBondContact O-OG 2.81Å; W135-S137 VanDerWaalsContact C-N 3.3Å; W135-S137 PolarHBondContact O-N 2.83Å; S137-R141 WeakPolarHBondContact O-CG 3.34Å
138I67.8Low78.1Confident78 Ų7860 Ų6040%0.428%0.283SS..Hα-helixtrans-82.9-42.5174.2-61.2166.9000109.8K134 W135 L136K134-I138 PolarHBondContact O-N 2.84Å; W135-I138 HydrophobicContact CE3-CD1 4.33Å; W135-I138 WeakPolarHBondContact O-CB 3.38Å; W135-I138 PolarHBondContact O-N 2.92Å; W135-I138 VanDerWaalsContact O-N 3.12Å; L136-I138 PolarHBondContact O-N 2.82Å
139S66.9Low78.2Confident5 Ų557 Ų574%0.03527%0.273CS..Hα-helixtrans-88.1-44.6-168.2-61.10000114.5G111 V113 W135 L136G111-S139 VanDerWaalsContact O-CA 3.31Å; G111-S139 WeakPolarHBondContact O-CA 3.15Å; G111-S139 WeakPolarHBondContact O-CB 3.47Å; G111-S139 PolarHBondContact O-OG 2.82Å; V113-S139 CarbonylContact C-O 3.6Å; V113-S139 VanDerWaalsContact C-O 3.25Å; V113-S139 PolarHBondContact N-O 3.35Å; V113-S139 CarbonylContact O-C 3.58Å; W135-S139 WeakPolarHBondContact O-CB 3.05Å; W135-S139 PolarHBondContact O-N 2.88Å; W135-S139 PolarHBondContact O-OG 2.9Å; W135-S139 VanDerWaalsContact O-OG 3.12Å; L136-S139 PolarHBondContact O-N 3.29Å
140A64.8Low77.2Confident3 Ų360 Ų603%0.02530%0.295CS..SBendtrans-124.263-168.900000111.7A115 V118 L136 N142 A143A115-A140 HydrophobicContact CB-CB 4.06Å; V118-A140 HydrophobicContact CG2-CB 4.22Å; L136-A140 HydrophobicContact CD2-CB 4.49Å; L136-A140 CarbonylContact O-C 3.5Å; L136-A140 WeakPolarHBondContact O-CA 3.14Å; L136-A140 PolarHBondContact O-N 3.47Å; A140-N142 PolarHBondContact O-N 3.41Å; A140-A143 HydrophobicContact CB-CB 4.19Å; A140-A143 PolarHBondContact O-N 3.2Å
141R63.8Low75.9Confident198 Ų19858 Ų5875%0.74729%0.293SS*.THydrogen-bonded Turntrans-61.8129.7-179.6-71.6-174.3-179.3-166.41111.2S137 A143S137-R141 WeakPolarHBondContact O-CG 3.34Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.32Å
142N66.8Low74.3Confident170 Ų17058.1 Ų58.191%0.90930%0.297SS*.THydrogen-bonded Turntrans67.617.8178.2-50.4-28.1000115.9A140A140-N142 PolarHBondContact O-N 3.41Å
143A77.9Confident72Confident6 Ų665 Ų655%0.0533%0.329CS..  trans-68.7142.1171.900000111.3A115 V118 A140 R141 M145A115-A143 VanDerWaalsContact O-CB 3.27Å; A115-A143 WeakPolarHBondContact O-CB 3.2Å; V118-A143 HydrophobicContact CG2-CB 3.85Å; A140-A143 HydrophobicContact CB-CB 4.19Å; A140-A143 PolarHBondContact O-N 3.2Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.32Å; A143-M145 HydrophobicContact CB-CE 4.29Å
144E82.9Confident69.7Low78 Ų7871.4 Ų71.436%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-67134.6166.1-174.8178.7-171.600109.1R43 N116 L117 V118R43-E144 IonicContact CZ-OE2 3.63Å; R43-E144 IonicContact NH1-OE2 2.7Å; R43-E144 IonicContact NH2-OE2 3.76Å; R43-E144 PolarHBondContact NH2-OE2 3.43Å; N116-E144 PolarHBondContact O-N 2.91Å; L117-E144 WeakPolarHBondContact CA-O 3.36Å; L117-E144 HydrophobicContact CD1-CB 3.93Å; L117-E144 HydrophobicContact CD1-CG 4.04Å; L117-E144 WeakPolarHBondContact CD1-O 3.49Å; V118-E144 PolarHBondContact N-O 2.84Å
145M86.5Confident67.4Low9 Ų970.8 Ų70.84%0.04436%0.361CS..EExtended strand (participates in β ladder)trans-106.7120.9179.9-60-71.8172.800109.5T19 F21 T22 V118 L136 A143T19-M145 HydrophobicContact CG2-CB 4.45Å; T19-M145 HydrophobicContact CG2-CE 4.31Å; T19-M145 HydrophobicContact CG2-CG 3.49Å; T19-M145 VanDerWaalsContact CG2-CG 3.49Å; F21-M145 CarbonylContact C-O 3.49Å; F21-M145 WeakPolarHBondContact CA-O 3.47Å; F21-M145 HydrophobicContact CD1-CB 3.38Å; F21-M145 HydrophobicContact CD1-CG 4Å; F21-M145 HydrophobicContact CE1-CB 3.59Å; F21-M145 HydrophobicContact CE1-CG 3.68Å; F21-M145 HydrophobicContact CE1-SD 4.4Å; F21-M145 HydrophobicContact CG-CB 4.04Å; F21-M145 HydrophobicContact CZ-CB 4.42Å; F21-M145 HydrophobicContact CZ-CG 4.14Å; T22-M145 PolarHBondContact N-O 2.97Å; V118-M145 HydrophobicContact CB-CE 4.4Å; V118-M145 HydrophobicContact CB-SD 3.6Å; V118-M145 HydrophobicContact CG1-SD 4Å; V118-M145 HydrophobicContact CG2-CE 4.31Å; V118-M145 HydrophobicContact CG2-SD 4.16Å; V118-M145 WeakPolarHBondContact O-CA 3.19Å; L136-M145 HydrophobicContact CB-CE 4.43Å; A143-M145 HydrophobicContact CB-CE 4.29Å
146L87.6Confident65.1Low13 Ų1375.5 Ų75.57%0.06839%0.387CS..EExtended strand (participates in β ladder)trans-113.4130.8173.5178.766.2000108.9T22 A24 F35 T39 L117 V118 I119 H120T22-L146 HydrophobicContact CG2-CD1 4.04Å; T22-L146 CarbonylContact O-C 3.59Å; T22-L146 WeakPolarHBondContact O-CA 3.31Å; T22-L146 WeakPolarHBondContact O-CD1 3.41Å; A24-L146 HydrophobicContact CB-CD1 4.13Å; F35-L146 HydrophobicContact CE1-CD2 4.15Å; T39-L146 HydrophobicContact CG2-CD2 4.35Å; L117-L146 HydrophobicContact CD1-CB 4.19Å; V118-L146 PolarHBondContact O-N 2.91Å; I119-L146 CarbonylContact C-O 3.59Å; I119-L146 VanDerWaalsContact CA-O 3.27Å; I119-L146 WeakPolarHBondContact CA-O 3.29Å; I119-L146 HydrophobicContact CD1-CD2 4.18Å; I119-L146 HydrophobicContact CG1-CB 4.24Å; I119-L146 HydrophobicContact CG1-CD2 4.15Å; I119-L146 HydrophobicContact CG2-CB 4.39Å; I119-L146 HydrophobicContact CG2-CD2 4.11Å; I119-L146 HydrophobicContact CG2-CG 4.27Å; H120-L146 PolarHBondContact N-O 3.3Å
147V87.9Confident62.8Low0 Ų085.2 Ų85.20%043%0.429CS..EExtended strand (participates in β ladder)trans-120123.1179.8-179.50000108.6F21 T22 Y23 A24 H120 L123F21-V147 HydrophobicContact CD1-CG2 4.07Å; T22-V147 PolarHBondContact O-N 3.41Å; Y23-V147 CarbonylContact C-O 3.53Å; Y23-V147 WeakPolarHBondContact CA-O 3.36Å; Y23-V147 HydrophobicContact CD1-CB 3.66Å; Y23-V147 HydrophobicContact CD1-CG1 3.65Å; Y23-V147 HydrophobicContact CD1-CG2 4.34Å; Y23-V147 HydrophobicContact CE1-CB 3.75Å; Y23-V147 HydrophobicContact CE1-CG1 3.58Å; Y23-V147 HydrophobicContact CE1-CG2 4Å; Y23-V147 HydrophobicContact CG-CB 4.23Å; A24-V147 PolarHBondContact N-O 3.23Å; H120-V147 HydrophobicContact CB-CG1 4.4Å; H120-V147 HydrophobicContact CB-CG2 4.2Å; L123-V147 HydrophobicContact CD1-CG1 3.56Å; L123-V147 HydrophobicContact CD2-CG1 3.62Å; L123-V147 HydrophobicContact CG-CG1 3.72Å
148I86.9Confident61Low8 Ų890.8 Ų90.84%0.04145%0.447CS..EExtended strand (participates in β ladder)trans-96.4115174.8-59.4-178.4000107.8P26 F35 L36 I119 H120P26-I148 HydrophobicContact CG-CG2 4.06Å; F35-I148 HydrophobicContact CD1-CD1 4.33Å; L36-I148 HydrophobicContact CB-CD1 4.37Å; L36-I148 HydrophobicContact CD1-CD1 3.61Å; I119-I148 HydrophobicContact CG2-CD1 4.12Å; I119-I148 HydrophobicContact CG2-CG1 4.28Å; H120-I148 PolarHBondContact O-N 2.82Å
149T77.5Confident59.1Low33 Ų3390.5 Ų90.520%0.20246%0.464CS..  trans-87.1125.9174.558.40000109Y23 A24 S25 L123Y23-T149 HydrophobicContact CD1-CG2 4.05Å; A24-T149 PolarHBondContact O-N 2.85Å; A24-T149 PolarHBondContact O-OG1 3.43Å; S25-T149 WeakPolarHBondContact CA-OG1 3.43Å; S25-T149 WeakPolarHBondContact CB-OG1 3.38Å; S25-T149 PolarHBondContact OG-OG1 3.24Å; L123-T149 HydrophobicContact CD1-CG2 4.4Å
150P60Low57.4Low86 Ų86101 Ų10156%0.55851%0.509SS*.  trans-63143.917425.6-31.2000110.8
151C53.3Low55.6Low70 Ų70104.4 Ų104.447%0.47354%0.544SS..  trans-96111.5166.8-138.40000106.6P26 E153P26-C151 WeakPolarHBondContact O-CB 3.4Å; C151-E153 PolarHBondContact O-N 3.37Å
152D44.9Very low54.1Low112 Ų112103.7 Ų103.760%0.59955%0.549SS*.  trans-78.1100.9178.9-65.6-35.6000109.3E154 N155D152-E154 PolarHBondContact O-N 3.16Å; D152-N155 PolarHBondContact O-N 3.08Å
153E39.4Very low52.1Low146 Ų146102 Ų10268%0.68255%0.545SS*.THydrogen-bonded Turntrans-67.72.1174.7-71.3-178.6-17500113.4S28 C151S28-E153 VanDerWaalsContact CB-OE1 3.32Å; S28-E153 WeakPolarHBondContact CB-OE1 3.1Å; C151-E153 PolarHBondContact O-N 3.37Å
154E35.5Very low49.9Very low182 Ų182111 Ų11185%0.8559%0.586SS**THydrogen-bonded Turntrans-87.1-8.9177.4-71.8-170.9164.400114.4D152D152-E154 PolarHBondContact O-N 3.16Å
155N31.6Very low47.2Very low129 Ų129112.8 Ų112.869%0.6960%0.604SS**SBendtrans-96.3-0.3-179.4-78.3-28.6000115.5D152D152-N155 PolarHBondContact O-N 3.08Å
156E32.3Very low44.2Very low186 Ų186121.4 Ų121.487%0.86965%0.645SS**THydrogen-bonded Turntrans-92.87178.6-76.9-166.4163.900114.8
157K32.7Very low41.3Very low204 Ų204128.8 Ų128.889%0.88768%0.683SS**THydrogen-bonded Turntrans-103.50.7174.3-75-169.2179.2179.70115.7
158E34.5Very low38.2Very low190 Ų190134.8 Ų134.889%0.88872%0.719SS**SBendtrans-121.990169-74.4-171.2164.100109.8
159G28.4Very low35.2Very low73 Ų73141.9 Ų141.975%0.75375%0.752SS**  trans167.743.5177.900000116.9
160K29.9Very low32.6Very low225 Ų225147.2 Ų147.298%0.97877%0.774SS**  trans-101.594.5153.8-86.6-170.2177.3-178.60108.4
161G28.2Very low30.7Very low74 Ų74153.6 Ų153.676%0.76379%0.787SS**  trans-172.496.2172.800000108.4
162E31.3Very low29.3Very low183 Ų183158.5 Ų158.586%0.85581%0.805SS**  trans-58.4140.7-178.2-61.3169.3150.600112.7
163T25.4Very low28.5Very low136 Ų136158.3 Ų158.383%0.83481%0.81SS**  167.4138.6111.825.70000110.9
164E31.9Very low27.6Very low193 Ų193159.5 Ų159.590%0.90282%0.821SS**  trans-53.7149.5171.3-69.6178.5142.900111.9
165P26.4Very low27Very low116 Ų116159.3 Ų159.375%0.75382%0.817SS**  -144.4137.5117.930.5-12.4000115.9
166E22.2Very low26.6Very low191 Ų191159.9 Ų159.989%0.89382%0.824SS**  trans26.6126.2135.5-65.1-176.6152.900121.7
167I27.1Very low26.1Very low168 Ų168157.7 Ų157.786%0.86282%0.819SS**  trans-79.2120161.9-62.7164.3000109.6
168V22.7Very low25.6Very low126 Ų126152.7 Ų152.776%0.76482%0.816SS**  trans-156.4120.3141.5178.60000110.9
169Q23.8Very low25.1Very low157 Ų157151.2 Ų151.273%0.73481%0.813SS**  trans16142.3141.8-54.5179.3-1.700119.2
170Q22.6Very low25Very low145 Ų145154.8 Ų154.868%0.67882%0.815SS**  179.4143.254.9-139.3167.558.300113.2
171R20.8Very low24.9Very low220 Ų220148.5 Ų148.583%0.8380%0.799SS**  trans62.2111.2142.9-80.2174.5178.1175.4-1.7124.2
172M23.7Very low24.7Very low173 Ų173152.2 Ų152.285%0.85280%0.798SS**  25151.2120.7-73.6-169101.300120.4
173P27.4Very low24.3Very low108 Ų108149.9 Ų149.970%0.70179%0.788SS**  cis-147.2177.535.838.2-17.2000116
174L22.1Very low24.2Very low171 Ų171152.1 Ų152.190%0.89579%0.793SS**  trans-160.4139.9134.6-102.5159.3000111
175K21.9Very low23.8Very low178 Ų178152.8 Ų152.877%0.77479%0.789SS**  trans-76.2147.3-159.7-72.3170.3166.9-1770113.8
176V22.6Very low23.7Very low140 Ų140154.9 Ų154.985%0.84879%0.789SS**  trans-94.6130.4150.6176.20000106.6
177D22.4Very low23.9Very low141 Ų141154.1 Ų154.175%0.75479%0.789SS**  trans-138.4138.3159.6-95.5-38.3000111.1
178A23.1Very low23.7Very low99 Ų99153.6 Ų153.682%0.81878%0.781SS**  trans105.291.8154.400000118.3
179L24Very low23.8Very low159 Ų159156.2 Ų156.283%0.83279%0.785SS**  trans-73.6146.8153.2-14398.9000110.7
180N25.5Very low23.9Very low147 Ų147155.2 Ų155.279%0.78678%0.784SS**  trans171.7140.9134.3-90.5-20.9000110
181S27.3Very low23.9Very low94 Ų94154.5 Ų154.566%0.65779%0.79SS**  cis-173.8169.4740.90000111.4
182M24.7Very low24.3Very low151 Ų151149.2 Ų149.274%0.74478%0.784SS**  trans85.5134160.5-65.1-170.870.300117.7
183Q23.6Very low25.6Very low134 Ų134145.8 Ų145.863%0.62678%0.775SS**  cis-177.3130.2-13.4-122.1-177.61.200103.8
184L22.4Very low25.5Very low183 Ų183146.7 Ų146.796%0.95878%0.779SS**  trans-154.8126.6154-109.1144.5000108.9
185Y24.4Very low25.7Very low207 Ų207143.2 Ų143.281%0.81277%0.768SS**  trans-64.5143.8-165.4-91.6-101000114.2
186E23.7Very low26Very low160 Ų160139.9 Ų139.975%0.74877%0.768SS**  trans-60.6151.2165.7-62.6176.8150.300112.6
187I25.9Very low26.2Very low175 Ų175142.3 Ų142.390%0.89777%0.77SS**  trans-136.3132.4132.4-62.9-173.5000109.2
188K24.1Very low26.3Very low157 Ų157141.9 Ų141.968%0.68377%0.767SS**  trans-68.2159.5-176.3-66.6168.1171.11730114.8
189E24.7Very low26.4Very low182 Ų182146.3 Ų146.385%0.8576%0.764SS**  -175.9111.9113.2-99.3176.1170.900108.9
190N24.2Very low26.4Very low135 Ų135148.1 Ų148.172%0.72277%0.766SS**  44.4119.795.3-72.7-11.1000112.4
191T24.6Very low26.6Very low131 Ų131145.2 Ų145.280%0.80476%0.762SS**  -170.2151.156.1-38.20000110.2
192P28.7Very low26.6Very low108 Ų108149.9 Ų149.970%0.70177%0.773SS**  trans-106.8-148.3177.938.6-22.9000110.2
193P50.8Low26.8Very low101 Ų101146.4 Ų146.466%0.65677%0.769SS**  -120.8-176.2-6326.9-5.6000110.2
194T25Very low27Very low128 Ų128147.1 Ų147.179%0.78578%0.777SS**  132.3148.4109.180000104.4
195S27.1Very low27.2Very low97 Ų97143.7 Ų143.768%0.67876%0.763SS**  cis-177.9132.22240.10000105.2
196S27.6Very low27.2Very low109 Ų109140.9 Ų140.976%0.76276%0.761SS**  53.7123.6117.875.30000117.8
197E25.8Very low27.3Very low190 Ų190140.1 Ų140.189%0.88876%0.762SS**  trans-169.1102.5138.8-107.3173-159.900110.5
198D25.2Very low27.3Very low132 Ų132137.1 Ų137.171%0.70676%0.756SS**  43134.7118.9-89.9-0.3000124.9
199Y26Very low27.3Very low192 Ų192134.2 Ų134.275%0.75376%0.761SS**  trans84.1122.8148.9-70.5-65000124
200K24.1Very low27.3Very low198 Ų198129.8 Ų129.886%0.86176%0.756SS**  99.6141.8127.9-85.7178.2-178.8-178.80121
201A27.8Very low27.4Very low85 Ų85129.7 Ų129.770%0.70276%0.76SS**  trans-103.2180-172.300000112.4
202E28.8Very low27.4Very low193 Ų193128 Ų12890%0.90276%0.76SS**  trans76.1146.7161.1-70.8179.9173.600116.4
203A28.5Very low27.1Very low78 Ų78128 Ų12865%0.64577%0.768SS**  cis-169.5-176.3-5.800000107.2
204D26.8Very low25.9Very low149 Ų149129.3 Ų129.380%0.79778%0.775SS**  trans120.9136.9153.2-75.3-6.5000116.2
205V26.9Very low26.1Very low110 Ų110131 Ų13167%0.66778%0.778SS**  cis-179.9162.3-18.1119.80000107.3
206L25.1Very low26.6Very low148 Ų148131.1 Ų131.178%0.77578%0.776SS**  trans82.5147.6169.5-56.5176.8000119.4
207L26Very low26.6Very low145 Ų145133.3 Ų133.376%0.75978%0.779SS**  cis-179.4153.2-29-152.193.4000105.9
208S24.8Very low26.6Very low112 Ų112130.7 Ų130.778%0.78377%0.771SS**  trans74.7151159.182.80000118.1
209A25.1Very low26.7Very low95 Ų95132 Ų13279%0.78578%0.778SS**  cis165133.6-24.800000104
210A25.2Very low26.7Very low90 Ų90131.7 Ų131.774%0.74478%0.781SS**  trans160.8103.3142.600000113.3
211T25.4Very low26.7Very low132 Ų132130.8 Ų130.881%0.8178%0.779SS**  47.3108.412746.40000122.4
212A24.7Very low26.6Very low97 Ų97135.2 Ų135.280%0.80279%0.786SS**  29.2128.8114.200000121.3
213A23.3Very low26.5Very low106 Ų106134.7 Ų134.788%0.87678%0.783SS**  trans-153.4115.9134.200000110.8
214T24.7Very low26.3Very low130 Ų130137.8 Ų137.880%0.79879%0.787SS**  trans-90.2146.9164.8-410000108.1
215I29.2Very low26.2Very low164 Ų164137.9 Ų137.984%0.84179%0.788SS**  -179.1147.5129.6-91.2159.7000109.9
216P38.4Very low26.2Very low98 Ų98140 Ų14064%0.63680%0.795SS**  trans-107.9169.7-161.936.9-21.9000113.1
217N26.1Very low26.2Very low155 Ų155137.3 Ų137.383%0.82979%0.788SS**  179.6148.6126.7-106.4-8.1000114.3
218D27.4Very low26.4Very low135 Ų135136.6 Ų136.672%0.72279%0.79SS**  trans-58.2151178.3-60.1-54.8000115.9
219N25.8Very low26.6Very low159 Ų159139.1 Ų139.185%0.8579%0.789SS**  -172.6149.7107.5-97.4-34.2000114.4
220K26.2Very low26.8Very low187 Ų187141.6 Ų141.681%0.81379%0.789SS**  trans-58.2152.8-178-65.1164171.1172.80115.1
221E25.5Very low26.9Very low178 Ų178140.5 Ų140.583%0.83278%0.78SS**  169.6104.9122.7-92.4172.2-174.600109.4
222Q25.4Very low27.2Very low178 Ų178140.1 Ų140.183%0.83278%0.778SS**  67.792.2108.6-79.8-173.2-11.400115.5
223E25.3Very low27.5Very low183 Ų183143.9 Ų143.986%0.85578%0.779SS**  trans-75.3125.8160.4-72.6178.7149.400110.4
224I25.8Very low27.8Very low142 Ų142147.6 Ų147.673%0.72878%0.775SS**  trans-104.2107.7164.1-64.4174.4000107.1L226I224-L226 HydrophobicContact CG2-CD1 4.27Å; I224-L226 HydrophobicContact CG2-CG 4.08Å
225N25.1Very low28Very low151 Ų151148.5 Ų148.581%0.80777%0.774SS**  trans-87.7113.4163.1-86.4-50.3000108.6
226L25.7Very low28Very low156 Ų156148.9 Ų148.982%0.81778%0.777SS**  trans-97.2104.9168.8-87.2158.8000109I224I224-L226 HydrophobicContact CG2-CD1 4.27Å; I224-L226 HydrophobicContact CG2-CG 4.08Å
227S25.7Very low27.4Very low90 Ų90148.4 Ų148.463%0.62978%0.781SS**  trans-74.5127.9164.1173.60000109.4E229S227-E229 PolarHBondContact O-N 3.28Å
228V29.3Very low27.4Very low131 Ų131145 Ų14579%0.79477%0.77SS**SBendtrans-88.477.8173-177.80000108.1
229E29.3Very low27.3Very low165 Ų165148.9 Ų148.977%0.77178%0.781SS**  trans-1274.6167.6-79-173.9152.100113.2S227S227-E229 PolarHBondContact O-N 3.28Å
230D28.8Very low27.2Very low146 Ų146150.4 Ų150.478%0.78178%0.783SS**SBendtrans-112.528.1-171.4-134.111.8000114.6
231A28.3Very low27.1Very low68 Ų68150.3 Ų150.356%0.56279%0.79SS**SBendtrans-113.7-2.2-176.600000115.4
232T31.1Very low27Very low123 Ų123144.6 Ų144.676%0.75578%0.779SS**SBendtrans-105.3-6.4-177.627.80000115.4
233E30.8Very low26.9Very low176 Ų176141.4 Ų141.482%0.82278%0.776SS**SBendtrans-991.5175.8-83.7-168150.200115
234K29Very low26.8Very low184 Ų184138.3 Ų138.380%0.877%0.77SS**SBendtrans-106.710.4177.9-86.5-178.6178.7169.50116.3
235L29.4Very low26.7Very low149 Ų149138.7 Ų138.778%0.7877%0.773SS**SBendtrans-113.96.5178.8-85.4165.1000115.3
236L29.1Very low26.7Very low172 Ų172136.8 Ų136.890%0.90177%0.772SS**SBendtrans-109.95.4174.8-79.3167.3000114.4
237A26.4Very low26.7Very low88 Ų88133.9 Ų133.973%0.72777%0.771SS**SBendtrans-121.368.9176.400000110.8
238S26Very low26.6Very low84 Ų84134.2 Ų134.259%0.58778%0.779SS**  trans-17791.9158.732.30000108.4
239F25.4Very low26.4Very low216 Ų216135.1 Ų135.195%0.94778%0.784SS**  trans-17871.4144-86.8-59.9000108
240E24.3Very low26.2Very low191 Ų191134.4 Ų134.489%0.89379%0.786SS**  trans-133.9119.8154.1-83.7-163.3164.500109.7
241L24.1Very low26.1Very low186 Ų186135.4 Ų135.497%0.97479%0.786SS**  trans172.4120.1157.8-99154.6000103.5
242G22.5Very low25.9Very low58 Ų58137 Ų13760%0.59879%0.793SS**  cis151.7166.613.600000107
243S22.9Very low25.6Very low110 Ų110136.7 Ų136.777%0.76980%0.796SS**  trans8894.8173.579.60000115.9
244T23.5Very low26Very low119 Ų119133.9 Ų133.973%0.7379%0.793SS**  83.5112.382.753.40000112.9
245D24.6Very low25.8Very low149 Ų149130.2 Ų130.280%0.79780%0.796SS**  172144.494.9-100-26.4000114.3
246S25.2Very low25.5Very low111 Ų111128 Ų12878%0.77680%0.799SS**  trans86.2118.414575.50000122.1
247A24.8Very low25.3Very low96 Ų96124.8 Ų124.879%0.79380%0.798SS**  trans86.6100.7130.500000119.6
248A23.6Very low25.1Very low97 Ų97129.4 Ų129.480%0.80280%0.802SS**  trans-59.9143.1150.100000111.8
249V26.4Very low25Very low150 Ų150134.3 Ų134.391%0.90981%0.813SS**  trans-144.1136.1137.7-174.50000108.6
250D24.1Very low24.9Very low150 Ų150130.8 Ų130.880%0.80280%0.804SS**  trans-86.3-176.2-174.5-151.4-13.6000111.6
251E25.9Very low24.8Very low167 Ų167125.5 Ų125.578%0.7879%0.793SS**  trans101.197.9157.7-63-168.7163.700121.1
252S25.2Very low24.8Very low101 Ų101123 Ų12371%0.70679%0.788SS**  57.4110.8121.666.40000122.8
253S25.2Very low24.8Very low116 Ų116126 Ų12681%0.81180%0.795SS**  35.5167.4112-136.50000121.4
254P39.2Very low24.9Very low118 Ų118131.1 Ų131.177%0.76680%0.799SS**  -126.1168-65.336.9-21.3000111.9
255A24.4Very low24.9Very low106 Ų106130 Ų13088%0.87680%0.795SS**  trans-153.5126158.800000113.1
256A23.5Very low25.3Very low102 Ų102127.9 Ų127.984%0.84379%0.79SS**  trans-78.6148.4177.600000112.5
257A24.6Very low25.2Very low106 Ų106132.2 Ų132.288%0.87680%0.795SS**  trans-145.1110.5149.700000109.2
258K22.9Very low25.2Very low185 Ų185133.6 Ų133.680%0.80479%0.793SS**  trans-86.9169.6167.9-85.2-179.2175.8177.30110.1
259F23.3Very low25.3Very low187 Ų187135 Ų13582%0.8279%0.792SS**  trans100131.7164.8-66.3-69.2000114
260N24.1Very low25.2Very low141 Ų141137.1 Ų137.175%0.75479%0.792SS**  cis-159.314516.2-118.2-35.4000110.4
261A22.2Very low25.5Very low81 Ų81137 Ų13767%0.66979%0.791SS**  trans-90.1163.9159.500000109.7
262P23.9Very low25.5Very low133 Ų133135 Ų13586%0.86479%0.793SS**  trans-118.2132.2147.328.3-13.9000111.7
263V22.3Very low26Very low122 Ų122135.5 Ų135.574%0.73979%0.792SS**  trans-109.1148.1164.7169.50000107.2
264Y23.7Very low26.3Very low217 Ų217139.2 Ų139.285%0.85179%0.793SS**  trans158.694.1146.4-94.3-79.4000106.5
265S23.6Very low26.1Very low95 Ų95137.9 Ų137.966%0.66479%0.787SS**  77171.278.978.70000114.4
266P33.8Very low26.5Very low104 Ų104139.3 Ų139.368%0.67578%0.779SS**  -122.8155.8-84.236.2-20.3000113.4
267F23.6Very low27Very low203 Ų203140 Ų14089%0.8977%0.769SS**  trans-147.6113.2160.5-94.9-78.2000113.5
268V24.1Very low27.3Very low124 Ų124138.1 Ų138.175%0.75275%0.753SS**  trans28.7128.8135.7-170.30000120.4
269T26.2Very low27.9Very low127 Ų127135.4 Ų135.478%0.77974%0.744SS**  trans-40.2141165.344.10000118
270E24.3Very low28.6Very low194 Ų194131.8 Ų131.891%0.90773%0.727SS**  trans-153.4127139.4-109.2174-159.100110.7
271N28.9Very low29.1Very low147 Ų147131.2 Ų131.279%0.78672%0.72SS**  trans-72.1150.5173.7-82.2-34000111.1
272P27Very low29.7Very low125 Ų125134.1 Ų134.181%0.81272%0.72SS**  -140.884.7128.434.7-18.2000112.6
273T36.2Very low30.1Very low113 Ų113132.7 Ų132.769%0.69370%0.704SS**  trans-83.8101.1154.926.70000108.2
274K31.2Very low30.7Very low193 Ų193130.2 Ų130.284%0.83969%0.689SS**SBendtrans-172.3-5.2157.8-106.7163.3-170.5-174.50115.9
275S34.7Very low31Very low90 Ų90127 Ų12763%0.62968%0.68SS**SBendtrans-97-24.4179.3-165.60000114.6
276L32.2Very low31.3Very low137 Ų137126 Ų12672%0.71767%0.673SS**Hα-helixtrans-81.6-28.7-174.6-88.9142.1000113.9A278 F280L276-A278 VanDerWaalsContact C-N 3.3Å; L276-A278 PolarHBondContact O-N 2.92Å; L276-F280 VanDerWaalsContact O-CB 3.23Å; L276-F280 WeakPolarHBondContact O-CB 3.43Å; L276-F280 PolarHBondContact O-N 3.47Å
277D33.5Very low31.3Very low116 Ų116129.3 Ų129.362%0.6268%0.677SS**Hα-helixtrans-71.7-25.7178.3-75.7-26.7000112.7Q281D277-Q281 WeakPolarHBondContact O-CB 3.32Å; D277-Q281 WeakPolarHBondContact O-CG 3.47Å; D277-Q281 PolarHBondContact O-N 2.98Å; D277-Q281 VanDerWaalsContact O-N 3.12Å
278A31.7Very low31.4Very low67 Ų67128.4 Ų128.455%0.55467%0.673SS**Hα-helixtrans-77.9-44.6177.700000111.8L276 F280 Q281 E282L276-A278 VanDerWaalsContact C-N 3.3Å; L276-A278 PolarHBondContact O-N 2.92Å; A278-F280 VanDerWaalsContact C-N 3.34Å; A278-Q281 PolarHBondContact O-N 3.4Å; A278-E282 PolarHBondContact O-N 3.07Å; A278-E282 VanDerWaalsContact O-N 3.12Å
279E35.9Very low31.6Very low128 Ų128127.3 Ų127.360%0.59867%0.666SS**Hα-helixtrans-65.4-35.9173.7-83.9-176.1147.200111.9E282 L283E279-E282 PolarHBondContact O-N 3.3Å; E279-L283 PolarHBondContact O-N 3.48Å
280F37.7Very low31.6Very low110 Ų110128.3 Ų128.348%0.48266%0.662SS.*Hα-helixtrans-71.2-38.2177.9-169.5-105.7000112.7L276 A278 E282 L283 V284 M1038L276-F280 VanDerWaalsContact O-CB 3.23Å; L276-F280 WeakPolarHBondContact O-CB 3.43Å; L276-F280 PolarHBondContact O-N 3.47Å; A278-F280 VanDerWaalsContact C-N 3.34Å; F280-E282 VanDerWaalsContact C-N 3.33Å; F280-E282 PolarHBondContact O-N 3.33Å; F280-L283 PolarHBondContact O-N 3.49Å; F280-V284 HydrophobicContact CD1-CG2 4.35Å; F280-V284 HydrophobicContact CE1-CG2 4.14Å; F280-V284 HydrophobicContact CZ-CG2 4.44Å; F280-V284 VanDerWaalsContact O-CG2 3.29Å; F280-V284 WeakPolarHBondContact O-CG2 3.45Å; F280-V284 PolarHBondContact O-N 2.94Å; F280-M1038 HydrophobicContact CZ-SD 3.85Å
281Q35.3Very low31.9Very low129 Ų129126.7 Ų126.760%0.60366%0.66SS**Hα-helixtrans-70.7-26.7174-76.7-164.36.900113.4D277 A278 K285D277-Q281 WeakPolarHBondContact O-CB 3.32Å; D277-Q281 WeakPolarHBondContact O-CG 3.47Å; D277-Q281 PolarHBondContact O-N 2.98Å; D277-Q281 VanDerWaalsContact O-N 3.12Å; A278-Q281 PolarHBondContact O-N 3.4Å; Q281-K285 WeakPolarHBondContact O-CG 3.3Å; Q281-K285 PolarHBondContact O-N 2.78Å; Q281-K285 VanDerWaalsContact O-N 3.16Å
282E33Very low31.7Very low143 Ų143125.3 Ų125.367%0.66866%0.656SS**Hα-helixtrans-72.7-38.1172.4-147175-16600111.3A278 E279 F280 K285 S286A278-E282 PolarHBondContact O-N 3.07Å; A278-E282 VanDerWaalsContact O-N 3.12Å; E279-E282 PolarHBondContact O-N 3.3Å; F280-E282 VanDerWaalsContact C-N 3.33Å; F280-E282 PolarHBondContact O-N 3.33Å; E282-K285 PolarHBondContact O-N 2.71Å; E282-S286 PolarHBondContact O-N 3.12Å
283L34.2Very low31.6Very low102 Ų102128.7 Ų128.753%0.53466%0.658SS.*Hα-helixtrans-63.6-41.1172.1-137.5107.1000112E279 F280 K285 S286 F287E279-L283 PolarHBondContact O-N 3.48Å; F280-L283 PolarHBondContact O-N 3.49Å; L283-K285 VanDerWaalsContact C-N 3.31Å; L283-K285 PolarHBondContact O-N 3.04Å; L283-S286 PolarHBondContact O-N 3.19Å; L283-S286 PolarHBondContact O-OG 3.18Å; L283-F287 HydrophobicContact CD2-CE2 4.42Å; L283-F287 PolarHBondContact O-N 3.33Å
284V34.4Very low31.1Very low70 Ų70132 Ų13242%0.42466%0.663SS.*Hα-helixtrans-68.4-28.3177.1171.50000112.4F280F280-V284 HydrophobicContact CD1-CG2 4.35Å; F280-V284 HydrophobicContact CE1-CG2 4.14Å; F280-V284 HydrophobicContact CZ-CG2 4.44Å; F280-V284 VanDerWaalsContact O-CG2 3.29Å; F280-V284 WeakPolarHBondContact O-CG2 3.45Å; F280-V284 PolarHBondContact O-N 2.94Å
285K30.2Very low30.8Very low150 Ų150129.5 Ų129.565%0.65266%0.659SS**Hα-helixtrans-73.9-33.6170.9-76.5175.4-177.8173.10112.3Q281 E282 L283 F287 K288Q281-K285 WeakPolarHBondContact O-CG 3.3Å; Q281-K285 PolarHBondContact O-N 2.78Å; Q281-K285 VanDerWaalsContact O-N 3.16Å; E282-K285 PolarHBondContact O-N 2.71Å; L283-K285 VanDerWaalsContact C-N 3.31Å; L283-K285 PolarHBondContact O-N 3.04Å; K285-F287 VanDerWaalsContact C-N 3.25Å; K285-F287 PolarHBondContact O-N 2.89Å; K285-K288 PolarHBondContact O-N 3.13Å
286S29.7Very low30.3Very low74 Ų74133.9 Ų133.952%0.51767%0.672SS.*Hα-helixtrans-66.7-23.1174.877.50000113.8E282 L283E282-S286 PolarHBondContact O-N 3.12Å; L283-S286 PolarHBondContact O-N 3.19Å; L283-S286 PolarHBondContact O-OG 3.18Å
287F32.4Very low30Very low174 Ų174135.2 Ų135.276%0.76368%0.68SS**THydrogen-bonded Turntrans-84.2-11.5174.9-92.7-84.5000114.6L283 K285L283-F287 HydrophobicContact CD2-CE2 4.42Å; L283-F287 PolarHBondContact O-N 3.33Å; K285-F287 VanDerWaalsContact C-N 3.25Å; K285-F287 PolarHBondContact O-N 2.89Å
288K27.5Very low29.7Very low183 Ų183137.4 Ų137.480%0.79669%0.691SS**SBendtrans-103.7-1.9-179.7-80.9-174.3175.8-179.90114.6K285K285-K288 PolarHBondContact O-N 3.13Å
289V27.6Very low29.4Very low101 Ų101139.3 Ų139.361%0.61270%0.697SS**SBendtrans-138.3131.7175.5-167.10000109.7
290Q25.8Very low29Very low149 Ų149139 Ų13970%0.69671%0.707SS**  trans100.7119.9168.3-55.4175.1-1000115.2
291N29.7Very low28.6Very low160 Ų160139.3 Ų139.386%0.85672%0.719SS**  cis36.710515.2-85.5-3.3000116
292V25.6Very low28.1Very low118 Ų118138.9 Ų138.972%0.71573%0.728SS**  trans110.699.6176-176.50000112.6
293F25.8Very low27.7Very low195 Ų195137.8 Ų137.886%0.85574%0.736SS**  trans-131.295.1142.2-93.9-78.2000109.4
294K25.5Very low27.3Very low182 Ų182139.2 Ų139.279%0.79175%0.749SS**  trans-109.3130.7149.1-108.3-178.1179.3175.80106.8
295N25.4Very low26.7Very low142 Ų142141.2 Ų141.276%0.75977%0.766SS**  trans60.7106.4160.5-62.9-13.2000119.2
296M22.9Very low26.5Very low182 Ų182141.8 Ų141.890%0.89777%0.774SS**  trans-132.3125.8132.4-82.7-159.5171.600109.8
297N26.7Very low26.2Very low164 Ų164147 Ų14788%0.87779%0.791SS**  trans-64.7131.4172.8-72.9-43.6000110
298L26.2Very low26Very low163 Ų163147 Ų14785%0.85379%0.793SS**  trans-107.4145.7164.8-86.2157.6000109.6
299P26.1Very low26Very low107 Ų107144 Ų14470%0.69579%0.792SS**PPolyproline II helixtrans-71.6160.1-171.730.2-33.8000112.6
300P28.3Very low25.8Very low122 Ų122145.2 Ų145.279%0.79280%0.799SS**PPolyproline II helixtrans-68.5144.4-175.127.9-33.4000112
301P27.8Very low25.9Very low115 Ų115143.3 Ų143.375%0.74780%0.802SS**PPolyproline II helixtrans-73.6152.8178.530-33.1000111.8
302P25.4Very low25.6Very low121 Ų121141.5 Ų141.579%0.78680%0.802SS**PPolyproline II helixtrans-69.8138.3-178.827.9-32.3000111.8
303S24.8Very low25.6Very low119 Ų119140.4 Ų140.483%0.83281%0.806SS**PPolyproline II helixtrans-68.4123.7173.948.70000111.4
304V24.8Very low25.5Very low133 Ų133137 Ų13781%0.80681%0.806SS**  trans-118.7127.3164.2-179.70000108.5
305S22.9Very low25.5Very low112 Ų112132.9 Ų132.978%0.78381%0.806SS**  trans-59.3135.7-173.9-240000112.5
306I25.3Very low25.5Very low161 Ų161132 Ų13283%0.82681%0.811SS**  trans-84.8115.8168.1-62.9170.2000107.2
307E23.4Very low25.6Very low185 Ų185129.9 Ų129.986%0.86480%0.803SS**  trans-99.6118.8157.1-78.8-174164.500108.2
308E28.8Very low25.5Very low173 Ų173130.5 Ų130.581%0.80880%0.795SS**  trans-68.5153.3165.6-70.4-175.8152.100110.3
309P26.7Very low25.3Very low119 Ų119132.5 Ų132.577%0.77379%0.791SS**  -138.1123.6124.528.7-12000114.5
310V23.4Very low25.2Very low128 Ų128135.5 Ų135.578%0.77680%0.795SS**  38.7124.8120.9-166.80000119.5
311S27.7Very low25Very low108 Ų108139.1 Ų139.176%0.75580%0.802SS**  trans-50.5148.216760.60000116.4
312S24.4Very low24.8Very low123 Ų123140 Ų14086%0.8680%0.799SS**  trans-162.4144.2130.852.30000112.1
313A25.6Very low24.7Very low95 Ų95142 Ų14279%0.78580%0.803SS**  trans-83153.8177.700000111.9
314S24Very low24.8Very low123 Ų123141.5 Ų141.586%0.8680%0.795SS**  trans-176141.2132.5420000111.4
315A26Very low24.7Very low96 Ų96141.9 Ų141.979%0.79380%0.798SS**  trans-84.1148.917000000110.5
316S24.8Very low24.8Very low124 Ų124141.4 Ų141.487%0.86779%0.794SS**  trans-174.5151.7136.437.20000113.6
317D24.5Very low24.7Very low136 Ų136142.4 Ų142.473%0.72780%0.8SS**  trans-58.9165.4-172.6-65.2-54.9000119.8
318Y24.2Very low24.8Very low178 Ų178140.3 Ų140.370%0.69880%0.795SS**  trans123.5106.6136.1-79.8-75.6000118.9
319R22.7Very low24.5Very low205 Ų205137.1 Ų137.177%0.77479%0.792SS**  trans60119.1131.1-77.5178.7-166.6172.82.4122.2
320H24.7Very low24.5Very low170 Ų170139.8 Ų139.879%0.78780%0.798SS**  trans34.1113.9131.6-83.7-65.4000119.7
321Q23.2Very low24.6Very low198 Ų198144.6 Ų144.693%0.92580%0.802SS**  -154.3139.2120.2-115.7169.1-0.600110.8
322I23.8Very low24.4Very low134 Ų134146.2 Ų146.269%0.68781%0.808SS**  trans-77131.5179.5-66.4162.4000107.3
323D22.9Very low24.3Very low162 Ų162147.2 Ų147.287%0.86681%0.808SS**  trans-142.3121.4146.7-104-28.3000111
324T26.2Very low24.2Very low109 Ų109152 Ų15267%0.66981%0.811SS**  trans-71.9125.7174.244.60000109.7
325T24.4Very low24.3Very low141 Ų141154 Ų15487%0.86581%0.813SS**  trans167.1145.4138.735.50000111.4
326S25Very low24.1Very low102 Ų102154.2 Ų154.271%0.71381%0.808SS**  trans77.895.3167.6-159.30000117.8
327L22.6Very low24.2Very low181 Ų181154.9 Ų154.995%0.94881%0.809SS**  trans-10865.4160.5-92.3162.7000108.6
328D24.7Very low24.1Very low141 Ų141152.4 Ų152.475%0.75481%0.808SS**  trans-121.692.5166-82-38.2000108.3
329S23.8Very low24.4Very low107 Ų107148.4 Ų148.475%0.74881%0.806SS**  trans17795.9153.334.70000111.8
330I25.7Very low24.7Very low174 Ų174146 Ų14689%0.89281%0.808SS**  trans-109102.4153.3-61.4177000105.8
331R24.9Very low25Very low229 Ų229140.3 Ų140.386%0.86479%0.79SS**PPolyproline II helixtrans-77.5130.5176-74.9-178.2175.1179.5-1.1109.9
332T24.1Very low25.6Very low143 Ų143134.2 Ų134.288%0.87777%0.766SS**PPolyproline II helixtrans-73.7128.4168.138.60000110.2
333V23.3Very low26.3Very low144 Ų144132 Ų13287%0.87376%0.759SS**PPolyproline II helixtrans-100.4131.8174175.90000109.1
334K22.6Very low27.1Very low194 Ų194126.4 Ų126.484%0.84373%0.731SS**PPolyproline II helixtrans-68.7160.8-179.1-87.6-178.6172-177.30113.9
335D26.8Very low28Very low167 Ų167124 Ų12489%0.89371%0.711SS**  trans-40.3120.2-177.3-59.3-62.8000116.9
336S21.8Very low28.7Very low100 Ų100123.1 Ų123.170%0.69971%0.711SS**  trans-157.9147.5150-153.50000107.2A338S336-A338 PolarHBondContact O-N 3.37Å
337P25.8Very low29.6Very low137 Ų137119.7 Ų119.789%0.8969%0.689SS**  trans-74.569.1-17931.7-33.5000110.1
338A22.5Very low31.4Very low84 Ų84118.2 Ų118.269%0.69469%0.687SS**  trans-82.5122.5175.600000109S336 L340S336-A338 PolarHBondContact O-N 3.37Å; A338-L340 PolarHBondContact O-N 2.93Å; A338-L340 VanDerWaalsContact O-N 3.1Å
339S30.5Very low33.5Very low95 Ų95112.5 Ų112.566%0.66466%0.662SS**  trans-55.8114.1178.365.50000111.4A341S339-A341 PolarHBondContact O-N 2.9Å
340L29.6Very low36.3Very low154 Ų154111 Ų11181%0.80665%0.645SS**  trans-74.448.1168.7-79.1162.7000111.6A338 V342A338-L340 PolarHBondContact O-N 2.93Å; A338-L340 VanDerWaalsContact O-N 3.1Å; L340-V342 VanDerWaalsContact C-N 3.26Å; L340-V342 PolarHBondContact O-N 2.66Å
341A30.6Very low39.1Very low50 Ų50103.5 Ų103.541%0.41361%0.607SS.*  trans-76.781.9170.600000109S339S339-A341 PolarHBondContact O-N 2.9Å
342V36.5Very low41.9Very low70 Ų7094 Ų9442%0.42457%0.571SS.*  trans-72.7126.1165.71790000107L340 P344 T579L340-V342 VanDerWaalsContact C-N 3.26Å; L340-V342 PolarHBondContact O-N 2.66Å; V342-P344 HydrophobicContact CG1-CG 4.5Å; V342-P344 WeakPolarHBondContact O-CD 3.25Å; V342-T579 HydrophobicContact CB-CG2 4.29Å; V342-T579 HydrophobicContact CG1-CG2 4.19Å; V342-T579 HydrophobicContact CG2-CG2 4.15Å
343V38.4Very low44.5Very low89 Ų8990 Ų9054%0.53955%0.545SS..  trans-89.5102.2177.41800000108.8
344P39Very low47.3Very low43 Ų4386.9 Ų86.928%0.27952%0.523SS..  trans-105.97.7-174.88.716.3000113.6V342 V583V342-P344 HydrophobicContact CG1-CG 4.5Å; V342-P344 WeakPolarHBondContact O-CD 3.25Å; P344-V583 HydrophobicContact CB-CG2 4.29Å
345F44.6Very low50.2Low58 Ų5883.1 Ų83.125%0.25450%0.504SS..  trans-138.964.5-169.9-55.9-69.4000112.6A347 W360 P733F345-A347 VanDerWaalsContact C-N 3.28Å; F345-A347 PolarHBondContact O-N 3.28Å; F345-W360 AromaticContact CD1-CD2 3.94Å; F345-W360 HydrophobicContact CD1-CD2 3.94Å; F345-W360 AromaticContact CD1-CE2 3.57Å; F345-W360 HydrophobicContact CD1-CE3 4.42Å; F345-W360 HydrophobicContact CD1-CG 4.43Å; F345-W360 HydrophobicContact CD1-CH2 4.24Å; F345-W360 AromaticContact CD1-CZ2 3.74Å; F345-W360 HydrophobicContact CD1-CZ2 3.74Å; F345-W360 AromaticContact CD1-NE1 3.83Å; F345-W360 AromaticContact CE1-CD2 3.83Å; F345-W360 HydrophobicContact CE1-CD2 3.83Å; F345-W360 AromaticContact CE1-CE2 3.97Å; F345-W360 HydrophobicContact CE1-CE3 4.1Å; F345-W360 HydrophobicContact CE1-CG 4.18Å; F345-W360 HydrophobicContact CE1-CZ2 4.37Å; F345-W360 HydrophobicContact CE1-CZ3 4.48Å; F345-P733 WeakPolarHBondContact O-CB 3.49Å
346S39.3Very low52.7Low124 Ų12476.7 Ų76.787%0.86748%0.478SS*.  trans-80.1-2.4176.8610000114.7
347A45.3Very low55.9Low30 Ų3072 Ų7225%0.24844%0.444CS..SBendtrans-112.5141.2177.900000111.7F345 G349F345-A347 VanDerWaalsContact C-N 3.28Å; F345-A347 PolarHBondContact O-N 3.28Å; A347-G349 PolarHBondContact O-N 2.84Å
348V59.1Low59Low149 Ų14966 Ų6690%0.90341%0.405SS*.  trans-57.1100.8176.4-177.50000109.4
349G69.7Low62.3Low22 Ų2262 Ų6223%0.22737%0.372CS..  trans-116.6157.9176.200000111.2A347A347-G349 PolarHBondContact O-N 2.84Å
350I82.4Confident65.1Low75 Ų7559 Ų5939%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-96.5123.2178.3-54.1170.9000108.7Y352 W360 S361 A364I350-Y352 HydrophobicContact CB-CE2 4.14Å; I350-Y352 HydrophobicContact CG2-CD1 4.43Å; I350-Y352 HydrophobicContact CG2-CE1 3.71Å; I350-Y352 HydrophobicContact CG2-CE2 3.98Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.43Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.29Å; I350-Y352 WeakPolarHBondContact O-CE2 3.14Å; I350-W360 WeakPolarHBondContact O-CA 3.39Å; I350-S361 PolarHBondContact N-O 2.98Å; I350-S361 PolarHBondContact O-N 3.01Å; I350-A364 HydrophobicContact CD1-CB 4.3Å
351T83.4Confident68Low16 Ų1651.6 Ų51.610%0.09831%0.307CS..EExtended strand (participates in β ladder)trans-98.1128.1174.5-48.80000110.6L358 G359 K731T351-L358 HydrophobicContact CG2-CD1 3.45Å; T351-L358 VanDerWaalsContact CG2-CD1 3.45Å; T351-L358 HydrophobicContact CG2-CG 4.41Å; T351-G359 CarbonylContact C-O 3.59Å; T351-G359 VanDerWaalsContact CA-O 3.27Å; T351-G359 WeakPolarHBondContact CA-O 3.43Å; T351-G359 WeakPolarHBondContact CG2-O 3.28Å; T351-K731 HydrophobicContact CG2-CG 4.37Å
352Y84.3Confident70.5Confident30 Ų3055.1 Ų55.112%0.11831%0.31CS..EExtended strand (participates in β ladder)trans-106.5141.5176.5-51.7-83.7000109.9I350 L358 G359 H363 A364 V365 F401I350-Y352 HydrophobicContact CB-CE2 4.14Å; I350-Y352 HydrophobicContact CG2-CD1 4.43Å; I350-Y352 HydrophobicContact CG2-CE1 3.71Å; I350-Y352 HydrophobicContact CG2-CE2 3.98Å; I350-Y352 VanDerWaalsContact CG2-CZ 3.43Å; I350-Y352 WeakPolarHBondContact CG2-OH 3.29Å; I350-Y352 WeakPolarHBondContact O-CE2 3.14Å; Y352-L358 WeakPolarHBondContact O-CA 3.25Å; Y352-G359 PolarHBondContact N-O 2.83Å; Y352-G359 PolarHBondContact O-N 2.78Å; Y352-H363 PolarHBondContact OH-O 2.96Å; Y352-A364 WeakPolarHBondContact OH-CA 3.47Å; Y352-V365 HydrophobicContact CE1-CB 4.4Å; Y352-V365 WeakPolarHBondContact CE1-O 3.36Å; Y352-V365 HydrophobicContact CE2-CB 4.14Å; Y352-V365 HydrophobicContact CE2-CG2 4.27Å; Y352-V365 PolarHBondContact OH-N 3.48Å; Y352-F401 HydrophobicContact CG-CE1 4.26Å
353N79.5Confident72.7Confident60 Ų6054.3 Ų54.332%0.32130%0.301SS..  trans-14138.8-176.663.5-21.8000113.2V357 Y727N353-V357 WeakPolarHBondContact CA-O 3.46Å; N353-Y727 HydrophobicContact CB-CD2 3.63Å; N353-Y727 HydrophobicContact CB-CE2 4.48Å; N353-Y727 HydrophobicContact CB-CG 4.13Å
354N81.4Confident75.1Confident78 Ų7853.9 Ų53.942%0.41731%0.307SS..  trans-102.9155.4-178.2-57.7-14000111.5G356 V357 F401N354-G356 PolarHBondContact O-N 3.14Å; N354-V357 PolarHBondContact O-N 3.25Å; N354-F401 HydrophobicContact CB-CZ 4.03Å
355Y83.2Confident77.5Confident115 Ų11552.4 Ų52.445%0.45130%0.297SS..THydrogen-bonded Turntrans59.724.1175.5-45-67.7000115.1V357 P367 A397 F401Y355-V357 VanDerWaalsContact C-N 3.3Å; Y355-P367 HydrophobicContact CE2-CB 3.97Å; Y355-P367 HydrophobicContact CE2-CG 3.95Å; Y355-A397 WeakPolarHBondContact O-CB 3.47Å; Y355-F401 HydrophobicContact CD2-CE2 4.01Å; Y355-F401 HydrophobicContact CD2-CZ 4.03Å
356G80.4Confident79.6Confident32 Ų3255.3 Ų55.333%0.3332%0.32SS..THydrogen-bonded Turntrans82.41.5-179.800000114.9N354N354-G356 PolarHBondContact O-N 3.14Å
357V88.3Confident82.1Confident0 Ų050.9 Ų50.90%029%0.288CS..  trans-105135-179.41700000109.9N353 N354 Y355 A397 V398 F401 L596 F597N353-V357 WeakPolarHBondContact CA-O 3.46Å; N354-V357 PolarHBondContact O-N 3.25Å; Y355-V357 VanDerWaalsContact C-N 3.3Å; V357-A397 HydrophobicContact CG2-CB 3.46Å; V357-A397 VanDerWaalsContact CG2-CB 3.46Å; V357-V398 HydrophobicContact CG1-CG1 4.31Å; V357-V398 HydrophobicContact CG2-CG1 3.79Å; V357-F401 HydrophobicContact CB-CD2 4.48Å; V357-F401 HydrophobicContact CB-CE2 4.1Å; V357-F401 HydrophobicContact CG1-CD2 4.22Å; V357-F401 HydrophobicContact CG1-CE2 4.25Å; V357-L596 HydrophobicContact CG1-CB 4.31Å; V357-L596 HydrophobicContact CG1-CD2 4Å; V357-F597 WeakPolarHBondContact CA-O 3.44Å; V357-F597 WeakPolarHBondContact CG1-O 3.43Å
358L90.8Very high84.3Confident12 Ų1249.6 Ų49.66%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-88.7119.7163.3-175.671.9000108.6T351 Y352 L596 F597 A603 Y727 L730T351-L358 HydrophobicContact CG2-CD1 3.45Å; T351-L358 VanDerWaalsContact CG2-CD1 3.45Å; T351-L358 HydrophobicContact CG2-CG 4.41Å; Y352-L358 WeakPolarHBondContact O-CA 3.25Å; L358-L596 CarbonylContact O-C 3.49Å; L358-L596 WeakPolarHBondContact O-CA 3.34Å; L358-F597 HydrophobicContact CB-CB 4.3Å; L358-F597 PolarHBondContact N-O 3.4Å; L358-F597 PolarHBondContact O-N 3.03Å; L358-A603 HydrophobicContact CB-CB 4.24Å; L358-A603 HydrophobicContact CD2-CB 3.73Å; L358-Y727 HydrophobicContact CB-CD1 4.18Å; L358-Y727 HydrophobicContact CB-CE1 3.68Å; L358-Y727 HydrophobicContact CB-CE2 4.16Å; L358-Y727 HydrophobicContact CD1-CD1 3.72Å; L358-Y727 HydrophobicContact CD1-CD2 4.32Å; L358-Y727 HydrophobicContact CD1-CE1 4.13Å; L358-Y727 HydrophobicContact CD1-CG 3.79Å; L358-Y727 HydrophobicContact CD2-CD1 4.25Å; L358-Y727 HydrophobicContact CD2-CE1 4.19Å; L358-Y727 HydrophobicContact CG-CD1 4.28Å; L358-Y727 HydrophobicContact CG-CE1 4.22Å; L358-L730 HydrophobicContact CD1-CD1 4.33Å; L358-L730 HydrophobicContact CD2-CD1 3.45Å; L358-L730 VanDerWaalsContact CD2-CD1 3.45Å
359G91.2Very high85.7Confident0 Ų047.8 Ų47.80%026%0.255CS..EExtended strand (participates in β ladder)trans-111144.6170.900000111.2T351 Y352 V595T351-G359 CarbonylContact C-O 3.59Å; T351-G359 VanDerWaalsContact CA-O 3.27Å; T351-G359 WeakPolarHBondContact CA-O 3.43Å; T351-G359 WeakPolarHBondContact CG2-O 3.28Å; Y352-G359 PolarHBondContact N-O 2.83Å; Y352-G359 PolarHBondContact O-N 2.78Å; G359-V595 CarbonylContact C-O 3.45Å; G359-V595 VanDerWaalsContact CA-O 3.25Å; G359-V595 WeakPolarHBondContact CA-O 3.38Å
360W90Very high86.5Confident31 Ų3147.1 Ų47.112%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-133.5130.4167.2179.290.5000109.4F345 I350 R362 V593 L594 V595F345-W360 AromaticContact CD1-CD2 3.94Å; F345-W360 HydrophobicContact CD1-CD2 3.94Å; F345-W360 AromaticContact CD1-CE2 3.57Å; F345-W360 HydrophobicContact CD1-CE3 4.42Å; F345-W360 HydrophobicContact CD1-CG 4.43Å; F345-W360 HydrophobicContact CD1-CH2 4.24Å; F345-W360 AromaticContact CD1-CZ2 3.74Å; F345-W360 HydrophobicContact CD1-CZ2 3.74Å; F345-W360 AromaticContact CD1-NE1 3.83Å; F345-W360 AromaticContact CE1-CD2 3.83Å; F345-W360 HydrophobicContact CE1-CD2 3.83Å; F345-W360 AromaticContact CE1-CE2 3.97Å; F345-W360 HydrophobicContact CE1-CE3 4.1Å; F345-W360 HydrophobicContact CE1-CG 4.18Å; F345-W360 HydrophobicContact CE1-CZ2 4.37Å; F345-W360 HydrophobicContact CE1-CZ3 4.48Å; I350-W360 WeakPolarHBondContact O-CA 3.39Å; W360-R362 HydrophobicContact CH2-CG 4Å; W360-R362 HydrophobicContact CZ2-CG 4.47Å; W360-V593 HydrophobicContact CZ3-CG1 3.95Å; W360-L594 CarbonylContact O-C 3.55Å; W360-L594 WeakPolarHBondContact O-CA 3.46Å; W360-V595 HydrophobicContact CE3-CG2 4.14Å; W360-V595 PolarHBondContact N-O 2.67Å; W360-V595 PolarHBondContact O-N 3.2Å
361S89.9Confident86.5Confident0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-150.2149.7176.5177.80000110.5I350 H363I350-S361 PolarHBondContact N-O 2.98Å; I350-S361 PolarHBondContact O-N 3.01Å; S361-H363 WeakPolarHBondContact CB-O 3.23Å; S361-H363 PolarHBondContact O-N 3.24Å; S361-H363 PolarHBondContact OG-N 3.37Å; S361-H363 PolarHBondContact OG-O 2.85Å
362R83.1Confident86.5Confident124 Ų12448.3 Ų48.347%0.46826%0.258SS..SBendtrans-69.2-17.9169-61.7-177.9-170.3-107.5-3.3112.6W360 P591W360-R362 HydrophobicContact CH2-CG 4Å; W360-R362 HydrophobicContact CZ2-CG 4.47Å; R362-P591 VanDerWaalsContact CD-O 3.26Å; R362-P591 WeakPolarHBondContact CD-O 3.39Å; R362-P591 PolarHBondContact NE-O 2.71Å; R362-P591 VanDerWaalsContact NE-O 3.12Å
363H84.3Confident86.5Confident53 Ų5352.1 Ų52.125%0.24528%0.277CS..SBendtrans-110.6152.1-176.8-63.499.4000112Y352 S361 V365 K410 D592Y352-H363 PolarHBondContact OH-O 2.96Å; S361-H363 WeakPolarHBondContact CB-O 3.23Å; S361-H363 PolarHBondContact O-N 3.24Å; S361-H363 PolarHBondContact OG-N 3.37Å; S361-H363 PolarHBondContact OG-O 2.85Å; H363-V365 PolarHBondContact O-N 3.39Å; H363-K410 PolarHBondContact CD2-NZ 3.42Å; H363-K410 VanDerWaalsContact CG-NZ 3.26Å; H363-D592 IonicContact CE1-OD1 3.07Å; H363-D592 PolarHBondContact CE1-OD1 3.01Å; H363-D592 VanDerWaalsContact CE1-OD1 3.31Å
364A87.5Confident86.7Confident80 Ų8049.2 Ų49.266%0.66126%0.262SS*.  trans-60.7126.5167.800000109.9I350 Y352I350-A364 HydrophobicContact CD1-CB 4.3Å; Y352-A364 WeakPolarHBondContact OH-CA 3.47Å
365V89Confident86.3Confident11 Ų1148 Ų487%0.06726%0.258CS..  trans-122.8118175.4-178.40000107.9Y352 H363 F401 P404 H405 L594Y352-V365 HydrophobicContact CE1-CB 4.4Å; Y352-V365 WeakPolarHBondContact CE1-O 3.36Å; Y352-V365 HydrophobicContact CE2-CB 4.14Å; Y352-V365 HydrophobicContact CE2-CG2 4.27Å; Y352-V365 PolarHBondContact OH-N 3.48Å; H363-V365 PolarHBondContact O-N 3.39Å; V365-F401 HydrophobicContact CG1-CB 4.33Å; V365-F401 HydrophobicContact CG1-CD1 4.31Å; V365-P404 HydrophobicContact CG1-CG 4.39Å; V365-H405 HydrophobicContact CG1-CB 4.42Å; V365-H405 HydrophobicContact CG2-CB 4.39Å; V365-L594 HydrophobicContact CG1-CD2 4.47Å; V365-L594 HydrophobicContact CG2-CD1 4.31Å; V365-L594 HydrophobicContact CG2-CD2 4.44Å
366V89.8Confident86.3Confident120 Ų12047.3 Ų47.373%0.72726%0.262SS*.  trans-93.8115.2173.6-178.30000107.6P404V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.31Å
367P91.3Very high86.6Confident31 Ų3146 Ų4620%0.20125%0.247CC..  trans-71.1141.2-178.527.7-32.9000111.4Y355 R400 F401Y355-P367 HydrophobicContact CE2-CB 3.97Å; Y355-P367 HydrophobicContact CE2-CG 3.95Å; P367-R400 CarbonylContact C-O 3.58Å; P367-R400 WeakPolarHBondContact CA-O 3.16Å; P367-R400 HydrophobicContact CB-CB 4.24Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.75Å; P367-F401 HydrophobicContact CB-CG 4.34Å; P367-F401 HydrophobicContact CB-CZ 4.18Å; P367-F401 HydrophobicContact CG-CD1 4.42Å; P367-F401 HydrophobicContact CG-CE1 3.95Å; P367-F401 HydrophobicContact CG-CZ 4.46Å
368C91.4Very high86.7Confident3 Ų347.5 Ų47.52%0.0226%0.258CS..  trans-91.3147170.664.50000111E373 R400C368-E373 HydrophobicContact CB-CB 3.72Å; C368-R400 PolarHBondContact N-O 3.02Å; C368-R400 WeakPolarHBondContact O-CA 3.36Å; C368-R400 WeakPolarHBondContact O-CB 3.43Å; C368-R400 WeakPolarHBondContact O-CG 3.27Å; C368-R400 PolarHBondContact SG-O 2.97Å; C368-R400 VanDerWaalsContact SG-O 3.4Å
369Y88.3Confident86.7Confident110 Ų11052 Ų5243%0.43129%0.286SS..SBendtrans-82.3-35.3175.1-171.8-99.1000112.9E373 R394 A395Y369-E373 VanDerWaalsContact CB-OE2 3.32Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.48Å; Y369-E373 PolarHBondContact N-OE2 2.86Å; Y369-R394 HydrophobicContact CE1-CB 4.12Å; Y369-A395 PolarHBondContact O-N 2.77Å
370G86.1Confident86.7Confident8 Ų855 Ų558%0.08230%0.301CS..SBendtrans-149.7-179-178.400000112.6T372 E373 A374G370-T372 PolarHBondContact O-N 2.79Å; G370-E373 PolarHBondContact O-N 3.49Å; G370-A374 PolarHBondContact O-N 2.94Å
371L83.9Confident86.8Confident8 Ų853.5 Ų53.54%0.04230%0.296CS..THydrogen-bonded Turntrans-60.8-28-178.2-76.5169.2000113.6E373 A374 R382 M385 Q386 A391 W403L371-E373 VanDerWaalsContact C-N 3.28Å; L371-E373 PolarHBondContact O-N 3.14Å; L371-A374 PolarHBondContact O-N 3.23Å; L371-R382 HydrophobicContact CB-CG 4.31Å; L371-R382 PolarHBondContact O-NE 2.98Å; L371-R382 PolarHBondContact O-NH1 2.93Å; L371-R382 VanDerWaalsContact O-NH1 3.16Å; L371-M385 HydrophobicContact CD1-CB 4.1Å; L371-M385 HydrophobicContact CD2-CE 3.51Å; L371-M385 HydrophobicContact CD2-SD 3.65Å; L371-Q386 HydrophobicContact CD1-CG 4.24Å; L371-A391 HydrophobicContact CD1-CB 3.92Å; L371-A391 HydrophobicContact CG-CB 3.92Å; L371-W403 HydrophobicContact CD2-CE3 4.07Å; L371-W403 HydrophobicContact CD2-CH2 3.4Å; L371-W403 HydrophobicContact CD2-CZ2 4.04Å; L371-W403 HydrophobicContact CD2-CZ3 3.4Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.4Å; L371-W403 HydrophobicContact CG-CH2 3.88Å; L371-W403 HydrophobicContact CG-CZ3 3.82Å
372T82.8Confident86.8Confident108 Ų10856 Ų5666%0.66331%0.305SS*.THydrogen-bonded Turntrans-63.7-35.7179.345.20000112.4G370 R382G370-T372 PolarHBondContact O-N 2.79Å; T372-R382 VanDerWaalsContact CA-NH1 3.26Å; T372-R382 PolarHBondContact O-NH1 3.12Å
373E84.3Confident87.1Confident110 Ų11057.2 Ų57.251%0.51431%0.31SS..THydrogen-bonded Turntrans-92.3-7.9-176.4-68168.4-147.100113.2C368 Y369 G370 L371 P375C368-E373 HydrophobicContact CB-CB 3.72Å; Y369-E373 VanDerWaalsContact CB-OE2 3.32Å; Y369-E373 WeakPolarHBondContact CB-OE2 3.48Å; Y369-E373 PolarHBondContact N-OE2 2.86Å; G370-E373 PolarHBondContact O-N 3.49Å; L371-E373 VanDerWaalsContact C-N 3.28Å; L371-E373 PolarHBondContact O-N 3.14Å; E373-P375 VanDerWaalsContact O-CD 3.27Å; E373-P375 WeakPolarHBondContact O-CD 3.36Å
374A83.1Confident87.4Confident0 Ų054.7 Ų54.70%030%0.298CS..SBendtrans-71.4113.7176.600000109.4G370 L371 I377 R382 W403G370-A374 PolarHBondContact O-N 2.94Å; L371-A374 PolarHBondContact O-N 3.23Å; A374-I377 HydrophobicContact CB-CD1 3.78Å; A374-I377 HydrophobicContact CB-CG1 4.19Å; A374-R382 PolarHBondContact O-NH2 3.04Å; A374-W403 HydrophobicContact CB-CB 4.09Å; A374-W403 HydrophobicContact CB-CE3 4.05Å
375P73.1Confident87.6Confident51 Ų5150.9 Ų50.933%0.33127%0.267SS..THydrogen-bonded Turntrans-65.6145.9-179.628.5-33.1000110E373 I377 P404 S407E373-P375 VanDerWaalsContact O-CD 3.27Å; E373-P375 WeakPolarHBondContact O-CD 3.36Å; P375-I377 PolarHBondContact O-N 2.84Å; P375-P404 HydrophobicContact CG-CB 3.71Å; P375-S407 WeakPolarHBondContact O-CB 3.37Å; P375-S407 PolarHBondContact O-OG 2.96Å
376D83.6Confident87.6Confident101 Ų10155.1 Ų55.154%0.5429%0.286SS..THydrogen-bonded Turntrans625.4171.6-50-35.7000117.6Q432D376-Q432 PolarHBondContact O-NE2 3.47Å
377I87.9Confident87.5Confident4 Ų455.1 Ų55.12%0.02128%0.278CS..  trans-82.1120.9163.8-56.3-174.4000108.6A374 P375 I381 R382 W403A374-I377 HydrophobicContact CB-CD1 3.78Å; A374-I377 HydrophobicContact CB-CG1 4.19Å; P375-I377 PolarHBondContact O-N 2.84Å; I377-I381 HydrophobicContact CG2-CB 4.05Å; I377-I381 HydrophobicContact CG2-CG2 3.57Å; I377-R382 HydrophobicContact CG2-CG 3.9Å; I377-R382 VanDerWaalsContact O-CZ 3.23Å; I377-R382 PolarHBondContact O-NE 3.31Å; I377-R382 PolarHBondContact O-NH2 3Å; I377-W403 HydrophobicContact CD1-CB 4.08Å; I377-W403 HydrophobicContact CD1-CD2 4.27Å; I377-W403 HydrophobicContact CD1-CG 3.99Å
378S89.9Confident87.4Confident33 Ų3356.1 Ų56.123%0.23128%0.281CS..  trans-65.6153.5-176.478.80000112.5I380 I381 R382 Q432S378-I380 PolarHBondContact O-N 2.9Å; S378-I381 PolarHBondContact O-N 2.84Å; S378-I381 WeakPolarHBondContact OG-CG1 3.32Å; S378-I381 PolarHBondContact OG-N 3.08Å; S378-R382 VanDerWaalsContact O-CG 3.3Å; S378-R382 WeakPolarHBondContact O-CG 3.42Å; S378-R382 PolarHBondContact O-N 3.24Å; S378-Q432 PolarHBondContact OG-OE1 2.97Å
379T89.7Confident87.2Confident106 Ų10657.5 Ų57.565%0.6530%0.295SS*.Hα-helixtrans-60.1-32.4177.451.40000112.5R383T379-R383 PolarHBondContact O-N 3.3Å
380I91.2Very high87.1Confident62 Ų6253 Ų5332%0.31828%0.279SS..Hα-helixtrans-66.1-50.3176.6-60.2174.7000110.4S378 R382 R383 A384 L473 L474S378-I380 PolarHBondContact O-N 2.9Å; I380-R382 VanDerWaalsContact C-N 3.33Å; I380-R382 PolarHBondContact O-N 3.16Å; I380-R383 WeakPolarHBondContact O-CB 3.45Å; I380-R383 PolarHBondContact O-N 2.84Å; I380-R383 VanDerWaalsContact O-N 3.15Å; I380-A384 PolarHBondContact O-N 3.38Å; I380-L473 VanDerWaalsContact CG2-C 3.49Å; I380-L473 HydrophobicContact CG2-CB 3.68Å; I380-L473 WeakPolarHBondContact CG2-O 3.39Å; I380-L474 HydrophobicContact CB-CD2 4.03Å; I380-L474 HydrophobicContact CD1-CD2 4.35Å; I380-L474 HydrophobicContact CG2-CD2 3.8Å; I380-L474 HydrophobicContact CG2-CG 4.3Å
381I92.3Very high86.9Confident0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-62.5-41.3177-71.9-68000111I377 S378 R383 A384 M385 P428 Q432 L470 L474I377-I381 HydrophobicContact CG2-CB 4.05Å; I377-I381 HydrophobicContact CG2-CG2 3.57Å; S378-I381 PolarHBondContact O-N 2.84Å; S378-I381 WeakPolarHBondContact OG-CG1 3.32Å; S378-I381 PolarHBondContact OG-N 3.08Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 PolarHBondContact O-N 3.36Å; I381-A384 WeakPolarHBondContact O-CB 3.2Å; I381-A384 PolarHBondContact O-N 2.87Å; I381-M385 HydrophobicContact CG2-CG 4.28Å; I381-M385 HydrophobicContact CG2-SD 3.9Å; I381-M385 WeakPolarHBondContact O-CB 3.4Å; I381-M385 VanDerWaalsContact O-CG 3.24Å; I381-M385 WeakPolarHBondContact O-CG 3.45Å; I381-M385 PolarHBondContact O-N 3.17Å; I381-P428 HydrophobicContact CG2-CB 3.71Å; I381-Q432 HydrophobicContact CG1-CB 4.05Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; I381-L470 HydrophobicContact CD1-CB 4.08Å; I381-L470 HydrophobicContact CD1-CD2 4.16Å; I381-L470 HydrophobicContact CG2-CD2 4.33Å; I381-L474 HydrophobicContact CD1-CD1 3.84Å; I381-L474 HydrophobicContact CD1-CD2 4.4Å; I381-L474 HydrophobicContact CD1-CG 4.15Å; I381-L474 HydrophobicContact CG1-CD1 4.32Å; I381-L474 HydrophobicContact CG1-CD2 4.19Å; I381-L474 HydrophobicContact CG1-CG 4.48Å
382R90.7Very high86.6Confident52 Ų5262.7 Ų62.720%0.19632%0.317CS..Hα-helixtrans-57.4-42.1174.8-68.5175.7-156.1-155-7.3111.7L371 T372 A374 I377 S378 I380 M385 Q386L371-R382 HydrophobicContact CB-CG 4.31Å; L371-R382 PolarHBondContact O-NE 2.98Å; L371-R382 PolarHBondContact O-NH1 2.93Å; L371-R382 VanDerWaalsContact O-NH1 3.16Å; T372-R382 VanDerWaalsContact CA-NH1 3.26Å; T372-R382 PolarHBondContact O-NH1 3.12Å; A374-R382 PolarHBondContact O-NH2 3.04Å; I377-R382 HydrophobicContact CG2-CG 3.9Å; I377-R382 VanDerWaalsContact O-CZ 3.23Å; I377-R382 PolarHBondContact O-NE 3.31Å; I377-R382 PolarHBondContact O-NH2 3Å; S378-R382 VanDerWaalsContact O-CG 3.3Å; S378-R382 WeakPolarHBondContact O-CG 3.42Å; S378-R382 PolarHBondContact O-N 3.24Å; I380-R382 VanDerWaalsContact C-N 3.33Å; I380-R382 PolarHBondContact O-N 3.16Å; R382-M385 PolarHBondContact O-N 2.99Å; R382-Q386 VanDerWaalsContact O-CG 3.3Å; R382-Q386 WeakPolarHBondContact O-CG 3.35Å; R382-Q386 PolarHBondContact O-N 3.38Å
383R88.9Confident86.4Confident151 Ų15162.6 Ų62.657%0.5732%0.321SS*.Hα-helixtrans-64.8-44.7177-173.2-177.7-68.7149.9-2.9111.7T379 I380 I381 M385 Q386 Q387T379-R383 PolarHBondContact O-N 3.3Å; I380-R383 WeakPolarHBondContact O-CB 3.45Å; I380-R383 PolarHBondContact O-N 2.84Å; I380-R383 VanDerWaalsContact O-N 3.15Å; I381-R383 VanDerWaalsContact C-N 3.28Å; I381-R383 PolarHBondContact O-N 3.36Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 3.2Å; R383-Q386 PolarHBondContact O-N 3.26Å; R383-Q387 WeakPolarHBondContact O-CG 3.41Å; R383-Q387 PolarHBondContact O-N 3.03Å
384A90.9Very high86.5Confident0 Ų064.5 Ų64.50%032%0.323CS..Hα-helixtrans-57.7-46.2174.800000111.4I380 I381 Q386 Q387 M388 L470 L473I380-A384 PolarHBondContact O-N 3.38Å; I381-A384 WeakPolarHBondContact O-CB 3.2Å; I381-A384 PolarHBondContact O-N 2.87Å; A384-Q386 VanDerWaalsContact C-N 3.33Å; A384-Q386 PolarHBondContact O-N 3.27Å; A384-Q387 PolarHBondContact O-N 2.67Å; A384-M388 HydrophobicContact CB-CE 4.31Å; A384-M388 VanDerWaalsContact O-CE 3.25Å; A384-M388 WeakPolarHBondContact O-CE 3.27Å; A384-M388 PolarHBondContact O-N 2.75Å; A384-M388 VanDerWaalsContact O-N 3.12Å; A384-L470 HydrophobicContact CB-CD2 3.88Å; A384-L473 HydrophobicContact CB-CD1 3.61Å; A384-L473 HydrophobicContact CB-CG 4.28Å
385M92Very high86.9Confident0 Ų064.6 Ų64.60%032%0.323CS..Hα-helixtrans-59.1-43.5176.9-70.5177.57700112L371 I381 R382 R383 M388 G389 V390 W403 W424 P428 L470L371-M385 HydrophobicContact CD1-CB 4.1Å; L371-M385 HydrophobicContact CD2-CE 3.51Å; L371-M385 HydrophobicContact CD2-SD 3.65Å; I381-M385 HydrophobicContact CG2-CG 4.28Å; I381-M385 HydrophobicContact CG2-SD 3.9Å; I381-M385 WeakPolarHBondContact O-CB 3.4Å; I381-M385 VanDerWaalsContact O-CG 3.24Å; I381-M385 WeakPolarHBondContact O-CG 3.45Å; I381-M385 PolarHBondContact O-N 3.17Å; R382-M385 PolarHBondContact O-N 2.99Å; R383-M385 VanDerWaalsContact C-N 3.32Å; R383-M385 PolarHBondContact O-N 3.2Å; M385-M388 CarbonylContact O-C 3.54Å; M385-M388 PolarHBondContact O-N 3.19Å; M385-G389 PolarHBondContact O-N 2.65Å; M385-V390 HydrophobicContact CB-CB 4.14Å; M385-V390 HydrophobicContact CE-CB 4.42Å; M385-V390 HydrophobicContact CE-CG1 3.66Å; M385-V390 WeakPolarHBondContact O-CA 3.46Å; M385-V390 WeakPolarHBondContact O-CB 3.45Å; M385-V390 PolarHBondContact O-N 3.07Å; M385-W403 HydrophobicContact CE-CH2 4.05Å; M385-W403 HydrophobicContact CE-CZ2 3.54Å; M385-W424 HydrophobicContact CE-CE3 4.25Å; M385-W424 HydrophobicContact CG-CZ3 4.21Å; M385-P428 HydrophobicContact CE-CB 4.19Å; M385-P428 HydrophobicContact CE-CG 3.43Å; M385-P428 VanDerWaalsContact CE-CG 3.43Å; M385-P428 HydrophobicContact CG-CG 4.32Å; M385-P428 HydrophobicContact SD-CB 3.58Å; M385-P428 VanDerWaalsContact SD-CB 3.58Å; M385-P428 HydrophobicContact SD-CG 3.5Å; M385-P428 VanDerWaalsContact SD-CG 3.5Å; M385-L470 HydrophobicContact CG-CD2 3.93Å
386Q88.8Confident87.8Confident100 Ų10068.2 Ų68.247%0.46733%0.33SS..Hα-helixtrans-63.9-41.1177.6-74.2171.3-18.400112.7L371 R382 R383 A384 M388 G389L371-Q386 HydrophobicContact CD1-CG 4.24Å; R382-Q386 VanDerWaalsContact O-CG 3.3Å; R382-Q386 WeakPolarHBondContact O-CG 3.35Å; R382-Q386 PolarHBondContact O-N 3.38Å; R383-Q386 PolarHBondContact O-N 3.26Å; A384-Q386 VanDerWaalsContact C-N 3.33Å; A384-Q386 PolarHBondContact O-N 3.27Å; Q386-M388 VanDerWaalsContact C-N 3.29Å; Q386-M388 PolarHBondContact O-N 3.48Å; Q386-G389 PolarHBondContact O-N 3.24Å
387Q87.8Confident88.1Confident119 Ų11964.6 Ų64.656%0.55632%0.315SS*.Hα-helixtrans-60.6-39.2175.6-73.2175.6-14.800111.7R383 A384 G389R383-Q387 WeakPolarHBondContact O-CG 3.41Å; R383-Q387 PolarHBondContact O-N 3.03Å; A384-Q387 PolarHBondContact O-N 2.67Å; Q387-G389 PolarHBondContact O-N 3.32Å
388M88.6Confident88.4Confident53 Ų5364.4 Ų64.426%0.26131%0.314SS..THydrogen-bonded Turntrans-77.46174.3-66.7-178.2-76.500114.1A384 M385 Q386 V390 W424 T469 L470A384-M388 HydrophobicContact CB-CE 4.31Å; A384-M388 VanDerWaalsContact O-CE 3.25Å; A384-M388 WeakPolarHBondContact O-CE 3.27Å; A384-M388 PolarHBondContact O-N 2.75Å; A384-M388 VanDerWaalsContact O-N 3.12Å; M385-M388 CarbonylContact O-C 3.54Å; M385-M388 PolarHBondContact O-N 3.19Å; Q386-M388 VanDerWaalsContact C-N 3.29Å; Q386-M388 PolarHBondContact O-N 3.48Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.23Å; M388-V390 PolarHBondContact O-N 3.45Å; M388-W424 HydrophobicContact CE-CH2 3.45Å; M388-W424 VanDerWaalsContact CE-CH2 3.45Å; M388-W424 HydrophobicContact CE-CZ2 4.44Å; M388-W424 HydrophobicContact CE-CZ3 4.07Å; M388-W424 HydrophobicContact SD-CH2 3.72Å; M388-W424 HydrophobicContact SD-CZ2 4.21Å; M388-T469 HydrophobicContact CE-CG2 4.04Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.66Å; M388-L470 HydrophobicContact CE-CD2 3.54Å; M388-L470 HydrophobicContact CE-CG 3.81Å
389G87Confident88.6Confident31 Ų3162.9 Ų62.932%0.3230%0.303SS..THydrogen-bonded Turntrans72.914.4179.900000114.9M385 Q386 Q387M385-G389 PolarHBondContact O-N 2.65Å; Q386-G389 PolarHBondContact O-N 3.24Å; Q387-G389 PolarHBondContact O-N 3.32Å
390V87.1Confident88.8Confident17 Ų1758.6 Ų58.610%0.10328%0.275CS..THydrogen-bonded Turntrans-80.4125.5178-176.10000109.6M385 M388 R392 W424M385-V390 HydrophobicContact CB-CB 4.14Å; M385-V390 HydrophobicContact CE-CB 4.42Å; M385-V390 HydrophobicContact CE-CG1 3.66Å; M385-V390 WeakPolarHBondContact O-CA 3.46Å; M385-V390 WeakPolarHBondContact O-CB 3.45Å; M385-V390 PolarHBondContact O-N 3.07Å; M388-V390 VanDerWaalsContact C-N 3.26Å; M388-V390 HydrophobicContact CB-CG2 4.23Å; M388-V390 PolarHBondContact O-N 3.45Å; V390-R392 VanDerWaalsContact C-N 3.28Å; V390-R392 PolarHBondContact O-N 2.96Å; V390-W424 HydrophobicContact CG1-CD2 4.22Å; V390-W424 HydrophobicContact CG1-CE3 4.14Å; V390-W424 HydrophobicContact CG1-CG 4.5Å; V390-W424 HydrophobicContact CG2-CD2 3.84Å; V390-W424 HydrophobicContact CG2-CE3 3.98Å; V390-W424 HydrophobicContact CG2-CH2 3.96Å; V390-W424 HydrophobicContact CG2-CZ2 3.78Å; V390-W424 HydrophobicContact CG2-CZ3 4.04Å
391A82.4Confident88.9Confident19 Ų1955.6 Ų55.616%0.15726%0.26CS..THydrogen-bonded Turntrans51.439.9176.700000115.2L371 S393 R394 W403L371-A391 HydrophobicContact CD1-CB 3.92Å; L371-A391 HydrophobicContact CG-CB 3.92Å; A391-S393 PolarHBondContact O-N 3.47Å; A391-R394 WeakPolarHBondContact CA-O 3.44Å; A391-W403 HydrophobicContact CB-CH2 3.68Å; A391-W403 HydrophobicContact CB-CZ3 4.38Å
392R76.8Confident89Confident200 Ų20055.6 Ų55.676%0.75526%0.26SS*.SBendtrans-49.4-40.7176.7-75.2-173.7175.6166.23.9113.7V390V390-R392 VanDerWaalsContact C-N 3.28Å; V390-R392 PolarHBondContact O-N 2.96Å
393S78.8Confident89.2Confident106 Ų10653.1 Ų53.174%0.74125%0.25SS*.SBendtrans-115.7-34.2179.5580000113.9A391A391-S393 PolarHBondContact O-N 3.47Å
394R86.9Confident89.4Confident150 Ų15046.5 Ų46.557%0.56623%0.227SC*.  trans-160.1153.8-179.763.7-171.7-177.3-179.4-0.5111.6Y369 A391Y369-R394 HydrophobicContact CE1-CB 4.12Å; A391-R394 WeakPolarHBondContact CA-O 3.44Å
395A90.8Very high89.5Confident1 Ų146.7 Ų46.71%0.00823%0.228CC..  trans-68.7144.7170.700000110.8Y369 Q399 R400 W403Y369-A395 PolarHBondContact O-N 2.77Å; A395-Q399 HydrophobicContact CB-CB 4.4Å; A395-R400 HydrophobicContact CB-CG 3.85Å; A395-R400 PolarHBondContact O-NE 2.65Å; A395-R400 PolarHBondContact O-NH2 3.02Å; A395-W403 HydrophobicContact CB-CE3 4.06Å; A395-W403 HydrophobicContact CB-CH2 3.9Å; A395-W403 HydrophobicContact CB-CZ3 3.42Å; A395-W403 VanDerWaalsContact CB-CZ3 3.42Å
396R91.7Very high89.5Confident127 Ų12746.7 Ų46.748%0.47923%0.228SC..  trans-69.3155172.7-61.1-177175.4-168.2-7.1110.4V398 Q399 R400 Q419 I420R396-V398 PolarHBondContact O-N 2.91Å; R396-Q399 HydrophobicContact CB-CG 4.17Å; R396-Q399 VanDerWaalsContact N-OE1 3.08Å; R396-Q399 WeakPolarHBondContact O-CA 3.26Å; R396-Q399 WeakPolarHBondContact O-CB 3.27Å; R396-Q399 PolarHBondContact O-N 3.37Å; R396-R400 WeakPolarHBondContact O-CG 3.3Å; R396-R400 PolarHBondContact O-N 3.42Å; R396-R400 VanDerWaalsContact O-N 3.12Å; R396-Q419 PolarHBondContact NH1-O 3.44Å; R396-I420 VanDerWaalsContact CD-O 3.27Å; R396-I420 WeakPolarHBondContact CD-O 3.2Å
397A90.5Very high89.6Confident25 Ų2542.2 Ų42.221%0.20721%0.207CC..Hα-helixtrans-52.3-49.7-167.200000113.8Y355 V357 Q399 R400 F401Y355-A397 WeakPolarHBondContact O-CB 3.47Å; V357-A397 HydrophobicContact CG2-CB 3.46Å; V357-A397 VanDerWaalsContact CG2-CB 3.46Å; A397-Q399 PolarHBondContact O-N 3.08Å; A397-R400 WeakPolarHBondContact O-CB 3.35Å; A397-R400 PolarHBondContact O-N 3.03Å; A397-F401 WeakPolarHBondContact O-CD2 3.4Å
398V93.4Very high89.6Confident0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-66.1-35177.2-64.60000113.2V357 R396 R400 F401 A402 V414 I420 L596 D598V357-V398 HydrophobicContact CG1-CG1 4.31Å; V357-V398 HydrophobicContact CG2-CG1 3.79Å; R396-V398 PolarHBondContact O-N 2.91Å; V398-R400 VanDerWaalsContact C-N 3.27Å; V398-R400 PolarHBondContact O-N 3.23Å; V398-F401 PolarHBondContact O-N 3.22Å; V398-A402 WeakPolarHBondContact O-CB 3.25Å; V398-A402 PolarHBondContact O-N 2.97Å; V398-V414 HydrophobicContact CB-CG1 4.07Å; V398-V414 HydrophobicContact CG1-CG1 4.14Å; V398-V414 HydrophobicContact CG2-CG1 4.22Å; V398-I420 HydrophobicContact CG1-CD1 4.24Å; V398-I420 HydrophobicContact CG2-CD1 4.42Å; V398-L596 HydrophobicContact CB-CD1 4.23Å; V398-L596 WeakPolarHBondContact O-CD1 3.29Å; V398-D598 HydrophobicContact CG1-CB 3.99Å
399Q94.1Very high89.7Confident2 Ų238.2 Ų38.21%0.00919%0.192CC..Hα-helixtrans-65.7-31.4-179.8-64.3169.3-15.300112A395 R396 A397 F401 A402 W403 G421 W424A395-Q399 HydrophobicContact CB-CB 4.4Å; R396-Q399 HydrophobicContact CB-CG 4.17Å; R396-Q399 VanDerWaalsContact N-OE1 3.08Å; R396-Q399 WeakPolarHBondContact O-CA 3.26Å; R396-Q399 WeakPolarHBondContact O-CB 3.27Å; R396-Q399 PolarHBondContact O-N 3.37Å; A397-Q399 PolarHBondContact O-N 3.08Å; Q399-F401 PolarHBondContact O-N 3.27Å; Q399-A402 PolarHBondContact O-N 3.06Å; Q399-W403 HydrophobicContact CB-CD2 4.06Å; Q399-W403 HydrophobicContact CB-CE3 4.48Å; Q399-W403 HydrophobicContact CB-CH2 4.31Å; Q399-W403 HydrophobicContact CB-CZ2 3.85Å; Q399-W403 HydrophobicContact CG-CZ2 4.09Å; Q399-W403 WeakPolarHBondContact O-CB 3.47Å; Q399-W403 PolarHBondContact O-N 3.17Å; Q399-G421 PolarHBondContact NE2-O 3.09Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å
400R93.4Very high89.9Confident15 Ų1538 Ų386%0.05718%0.182CC..Hα-helixtrans-56.2-36.3177.8-62.6-177.2179.9-146-15112.7P367 C368 A395 R396 A397 V398 P404P367-R400 CarbonylContact C-O 3.58Å; P367-R400 WeakPolarHBondContact CA-O 3.16Å; P367-R400 HydrophobicContact CB-CB 4.24Å; C368-R400 PolarHBondContact N-O 3.02Å; C368-R400 WeakPolarHBondContact O-CA 3.36Å; C368-R400 WeakPolarHBondContact O-CB 3.43Å; C368-R400 WeakPolarHBondContact O-CG 3.27Å; C368-R400 PolarHBondContact SG-O 2.97Å; C368-R400 VanDerWaalsContact SG-O 3.4Å; A395-R400 HydrophobicContact CB-CG 3.85Å; A395-R400 PolarHBondContact O-NE 2.65Å; A395-R400 PolarHBondContact O-NH2 3.02Å; R396-R400 WeakPolarHBondContact O-CG 3.3Å; R396-R400 PolarHBondContact O-N 3.42Å; R396-R400 VanDerWaalsContact O-N 3.12Å; A397-R400 WeakPolarHBondContact O-CB 3.35Å; A397-R400 PolarHBondContact O-N 3.03Å; V398-R400 VanDerWaalsContact C-N 3.27Å; V398-R400 PolarHBondContact O-N 3.23Å; R400-P404 VanDerWaalsContact O-CD 3.31Å; R400-P404 WeakPolarHBondContact O-CD 3.45Å; R400-P404 VanDerWaalsContact O-CG 3.3Å; R400-P404 WeakPolarHBondContact O-CG 3.46Å
401F94.2Very high90.3Very high0 Ų037.3 Ų37.30%018%0.178CC..Hα-helixtrans-94.1-36.9178.1-60.4-87.4000111.9Y352 N354 Y355 V357 V365 P367 A397 V398 Q399 P404 H405 L594 L596Y352-F401 HydrophobicContact CG-CE1 4.26Å; N354-F401 HydrophobicContact CB-CZ 4.03Å; Y355-F401 HydrophobicContact CD2-CE2 4.01Å; Y355-F401 HydrophobicContact CD2-CZ 4.03Å; V357-F401 HydrophobicContact CB-CD2 4.48Å; V357-F401 HydrophobicContact CB-CE2 4.1Å; V357-F401 HydrophobicContact CG1-CD2 4.22Å; V357-F401 HydrophobicContact CG1-CE2 4.25Å; V365-F401 HydrophobicContact CG1-CB 4.33Å; V365-F401 HydrophobicContact CG1-CD1 4.31Å; P367-F401 HydrophobicContact CB-CD1 3.84Å; P367-F401 HydrophobicContact CB-CE1 3.75Å; P367-F401 HydrophobicContact CB-CG 4.34Å; P367-F401 HydrophobicContact CB-CZ 4.18Å; P367-F401 HydrophobicContact CG-CD1 4.42Å; P367-F401 HydrophobicContact CG-CE1 3.95Å; P367-F401 HydrophobicContact CG-CZ 4.46Å; A397-F401 WeakPolarHBondContact O-CD2 3.4Å; V398-F401 PolarHBondContact O-N 3.22Å; Q399-F401 PolarHBondContact O-N 3.27Å; F401-P404 WeakPolarHBondContact O-CD 3.3Å; F401-P404 WeakPolarHBondContact O-CG 3.38Å; F401-H405 WeakPolarHBondContact O-CB 3.41Å; F401-L594 HydrophobicContact CB-CD2 4.09Å; F401-L594 WeakPolarHBondContact O-CD2 3.32Å; F401-L596 HydrophobicContact CB-CD1 4.12Å; F401-L596 HydrophobicContact CB-CD2 3.84Å; F401-L596 HydrophobicContact CG-CD2 4.28Å
402A95.1Very high90.9Very high0 Ų036.4 Ų36.40%017%0.171CC..Hα-helixtrans-68.4-47.2-175.300000112.7V398 Q399 H405 V406 V412 L596V398-A402 WeakPolarHBondContact O-CB 3.25Å; V398-A402 PolarHBondContact O-N 2.97Å; Q399-A402 PolarHBondContact O-N 3.06Å; A402-H405 PolarHBondContact O-N 3.23Å; A402-H405 VanDerWaalsContact O-N 3.14Å; A402-V406 VanDerWaalsContact O-CB 3.28Å; A402-V406 WeakPolarHBondContact O-CB 3.32Å; A402-V406 WeakPolarHBondContact O-CG2 3.32Å; A402-V406 PolarHBondContact O-N 3.09Å; A402-V412 HydrophobicContact CB-CG2 4.39Å; A402-L596 HydrophobicContact CB-CD1 3.95Å
403W94.6Very high91.8Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-55.2-54-178.4-68.1-19.9000113.8L371 A374 I377 M385 A391 A395 Q399 H405 V406 S407 W424L371-W403 HydrophobicContact CD2-CE3 4.07Å; L371-W403 HydrophobicContact CD2-CH2 3.4Å; L371-W403 HydrophobicContact CD2-CZ2 4.04Å; L371-W403 HydrophobicContact CD2-CZ3 3.4Å; L371-W403 VanDerWaalsContact CD2-CZ3 3.4Å; L371-W403 HydrophobicContact CG-CH2 3.88Å; L371-W403 HydrophobicContact CG-CZ3 3.82Å; A374-W403 HydrophobicContact CB-CB 4.09Å; A374-W403 HydrophobicContact CB-CE3 4.05Å; I377-W403 HydrophobicContact CD1-CB 4.08Å; I377-W403 HydrophobicContact CD1-CD2 4.27Å; I377-W403 HydrophobicContact CD1-CG 3.99Å; M385-W403 HydrophobicContact CE-CH2 4.05Å; M385-W403 HydrophobicContact CE-CZ2 3.54Å; A391-W403 HydrophobicContact CB-CH2 3.68Å; A391-W403 HydrophobicContact CB-CZ3 4.38Å; A395-W403 HydrophobicContact CB-CE3 4.06Å; A395-W403 HydrophobicContact CB-CH2 3.9Å; A395-W403 HydrophobicContact CB-CZ3 3.42Å; A395-W403 VanDerWaalsContact CB-CZ3 3.42Å; Q399-W403 HydrophobicContact CB-CD2 4.06Å; Q399-W403 HydrophobicContact CB-CE3 4.48Å; Q399-W403 HydrophobicContact CB-CH2 4.31Å; Q399-W403 HydrophobicContact CB-CZ2 3.85Å; Q399-W403 HydrophobicContact CG-CZ2 4.09Å; Q399-W403 WeakPolarHBondContact O-CB 3.47Å; Q399-W403 PolarHBondContact O-N 3.17Å; W403-H405 PolarHBondContact O-N 3.15Å; W403-V406 PolarHBondContact O-N 2.9Å; W403-S407 VanDerWaalsContact O-CB 3.24Å; W403-S407 WeakPolarHBondContact O-CB 3.45Å; W403-S407 PolarHBondContact O-N 3.11Å; W403-S407 PolarHBondContact O-OG 3.25Å; W403-W424 PolarHBondContact NE1-O 3.21Å
404P92.6Very high92.7Very high12 Ų1221.9 Ų21.98%0.07810%0.099CC..Hα-helixtrans-64.7-23179.423.5-33.6000114.1V365 V366 P375 R400 F401 L408V365-P404 HydrophobicContact CG1-CG 4.39Å; V366-P404 VanDerWaalsContact O-CG 3.31Å; V366-P404 WeakPolarHBondContact O-CG 3.31Å; P375-P404 HydrophobicContact CG-CB 3.71Å; R400-P404 VanDerWaalsContact O-CD 3.31Å; R400-P404 WeakPolarHBondContact O-CD 3.45Å; R400-P404 VanDerWaalsContact O-CG 3.3Å; R400-P404 WeakPolarHBondContact O-CG 3.46Å; F401-P404 WeakPolarHBondContact O-CD 3.3Å; F401-P404 WeakPolarHBondContact O-CG 3.38Å; P404-L408 WeakPolarHBondContact O-CD1 3.29Å; P404-L408 WeakPolarHBondContact O-CG 3.29Å
405H92.6Very high93Very high4 Ų414.7 Ų14.72%0.0197%0.072CC..Hα-helixtrans-86.5-44.8179.3-173.584000112.2V365 F401 A402 W403 L408 K410 S411 D592 L594V365-H405 HydrophobicContact CG1-CB 4.42Å; V365-H405 HydrophobicContact CG2-CB 4.39Å; F401-H405 WeakPolarHBondContact O-CB 3.41Å; A402-H405 PolarHBondContact O-N 3.23Å; A402-H405 VanDerWaalsContact O-N 3.14Å; W403-H405 PolarHBondContact O-N 3.15Å; H405-L408 PolarHBondContact O-N 3.45Å; H405-K410 WeakPolarHBondContact NE2-CB 3.16Å; H405-K410 PolarHBondContact O-N 2.99Å; H405-S411 PolarHBondContact CD2-O 2.85Å; H405-S411 PolarHBondContact NE2-O 2.81Å; H405-D592 PolarHBondContact NE2-O 3.46Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 WeakPolarHBondContact CD2-CB 3.33Å; H405-L594 VanDerWaalsContact NE2-CB 3.34Å; H405-L594 WeakPolarHBondContact NE2-CB 3.3Å; H405-L594 PolarHBondContact NE2-N 3.13Å
406V93.3Very high93Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-69.7-36.8-178.8174.10000110.9A402 W403 L408 G409 V412 T429 Q569 L571A402-V406 VanDerWaalsContact O-CB 3.28Å; A402-V406 WeakPolarHBondContact O-CB 3.32Å; A402-V406 WeakPolarHBondContact O-CG2 3.32Å; A402-V406 PolarHBondContact O-N 3.09Å; W403-V406 PolarHBondContact O-N 2.9Å; V406-L408 PolarHBondContact O-N 3.49Å; V406-G409 WeakPolarHBondContact O-CA 3.24Å; V406-G409 PolarHBondContact O-N 2.8Å; V406-V412 HydrophobicContact CG2-CB 3.76Å; V406-V412 HydrophobicContact CG2-CG1 3.53Å; V406-V412 HydrophobicContact CG2-CG2 4.39Å; V406-T429 HydrophobicContact CG1-CG2 3.94Å; V406-Q569 PolarHBondContact O-NE2 2.91Å; V406-Q569 VanDerWaalsContact O-NE2 3.14Å; V406-L571 HydrophobicContact CG1-CD2 3.97Å; V406-L571 HydrophobicContact CG2-CD2 4.18Å
407S90Very high92.7Very high5 Ų512.2 Ų12.24%0.0357%0.068CC..THydrogen-bonded Turntrans-65.6-19.117871.20000114P375 W403 G409 R433P375-S407 WeakPolarHBondContact O-CB 3.37Å; P375-S407 PolarHBondContact O-OG 2.96Å; W403-S407 VanDerWaalsContact O-CB 3.24Å; W403-S407 WeakPolarHBondContact O-CB 3.45Å; W403-S407 PolarHBondContact O-N 3.11Å; W403-S407 PolarHBondContact O-OG 3.25Å; S407-G409 VanDerWaalsContact C-N 3.34Å; S407-R433 VanDerWaalsContact C-NH2 3.35Å; S407-R433 PolarHBondContact O-NH2 2.93Å
408L88.7Confident92.1Very high84 Ų8415.5 Ų15.544%0.448%0.082SC..THydrogen-bonded Turntrans-87.2-0.1169.8-63.4175.5000113.6P404 H405 V406P404-L408 WeakPolarHBondContact O-CD1 3.29Å; P404-L408 WeakPolarHBondContact O-CG 3.29Å; H405-L408 PolarHBondContact O-N 3.45Å; V406-L408 PolarHBondContact O-N 3.49Å
409G88.9Confident91.6Very high5 Ų523.8 Ų23.85%0.05212%0.121CC..THydrogen-bonded Turntrans82.423.2175.500000115.1V406 S407 R433V406-G409 WeakPolarHBondContact O-CA 3.24Å; V406-G409 PolarHBondContact O-N 2.8Å; S407-G409 VanDerWaalsContact C-N 3.34Å; G409-R433 VanDerWaalsContact CA-CZ 3.44Å; G409-R433 VanDerWaalsContact CA-NH2 3.28Å
410K91.8Very high91.1Very high25 Ų2524.8 Ų24.811%0.10913%0.126CC..  trans-98.2143.1177.6-58.6-178.8-179.8-175.50111H363 H405 Q565 Q569H363-K410 PolarHBondContact CD2-NZ 3.42Å; H363-K410 VanDerWaalsContact CG-NZ 3.26Å; H405-K410 WeakPolarHBondContact NE2-CB 3.16Å; H405-K410 PolarHBondContact O-N 2.99Å; K410-Q565 HydrophobicContact CG-CG 4.49Å; K410-Q569 PolarHBondContact O-NE2 3.09Å
411S94.8Very high90.9Very high4 Ų424.4 Ų24.43%0.02813%0.126CC..  trans-64.5149.5-176.9-60.50000112.2H405 L570 V593 L594H405-S411 PolarHBondContact CD2-O 2.85Å; H405-S411 PolarHBondContact NE2-O 2.81Å; S411-L570 WeakPolarHBondContact CA-O 3.27Å; S411-L570 WeakPolarHBondContact CB-O 3.31Å; S411-L570 PolarHBondContact OG-N 3.5Å; S411-L570 VanDerWaalsContact OG-N 3.09Å; S411-L570 PolarHBondContact OG-O 2.89Å; S411-V593 WeakPolarHBondContact O-CA 3.42Å; S411-L594 PolarHBondContact O-N 2.89Å
412V95.9Very high90.9Very high0 Ų024.9 Ų24.90%013%0.129CC..EExtended strand (participates in β ladder)trans-137.3140.3178.975.10000111A402 V406 V414 Y426 L570 L571 V572 M590 L594 L596A402-V412 HydrophobicContact CB-CG2 4.39Å; V406-V412 HydrophobicContact CG2-CB 3.76Å; V406-V412 HydrophobicContact CG2-CG1 3.53Å; V406-V412 HydrophobicContact CG2-CG2 4.39Å; V412-V414 HydrophobicContact CG1-CG2 4.39Å; V412-V414 HydrophobicContact CG2-CG2 3.84Å; V412-Y426 HydrophobicContact CG1-CD1 4.24Å; V412-L570 PolarHBondContact N-O 2.94Å; V412-L571 HydrophobicContact CG1-CD2 3.73Å; V412-V572 PolarHBondContact O-N 2.85Å; V412-M590 VanDerWaalsContact O-CE 3.32Å; V412-M590 WeakPolarHBondContact O-CE 3.39Å; V412-L594 CarbonylContact C-O 3.52Å; V412-L594 WeakPolarHBondContact CA-O 3.4Å; V412-L594 HydrophobicContact CG2-CB 4.21Å; V412-L594 HydrophobicContact CG2-CD2 4.27Å; V412-L594 HydrophobicContact CG2-CG 4.29Å; V412-L594 WeakPolarHBondContact CG2-O 3.47Å; V412-L596 HydrophobicContact CG2-CD1 4.38Å
413L96.4Very high90.9Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-121.2113.6171.217259.6000108.7V415 V572 W577 M582 L587 M590 V593 L594 V595 L596L413-V415 HydrophobicContact CD1-CG2 4.16Å; L413-V415 HydrophobicContact CG-CG2 4.25Å; L413-V572 WeakPolarHBondContact CA-O 3.32Å; L413-V572 HydrophobicContact CD1-CB 3.67Å; L413-V572 HydrophobicContact CD1-CG1 3.54Å; L413-W577 HydrophobicContact CD2-CE3 4.42Å; L413-W577 HydrophobicContact CD2-CH2 4.04Å; L413-W577 HydrophobicContact CD2-CZ3 3.52Å; L413-W577 HydrophobicContact CG-CZ3 4.39Å; L413-M582 HydrophobicContact CD1-SD 4.03Å; L413-M582 HydrophobicContact CD2-SD 4.05Å; L413-L587 HydrophobicContact CD2-CD2 4.15Å; L413-M590 HydrophobicContact CB-CE 4.33Å; L413-V593 HydrophobicContact CB-CG2 4Å; L413-L594 PolarHBondContact N-O 3.35Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.42Å; L413-V595 HydrophobicContact CD2-CG2 4.47Å; L413-V595 CarbonylContact O-C 3.59Å; L413-V595 WeakPolarHBondContact O-CA 3.48Å; L413-L596 PolarHBondContact O-N 3.42Å
414V96.4Very high90.9Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-111.4119.2-179-169.90000110.2V398 V412 K422 V572 S573 G574 L596V398-V414 HydrophobicContact CB-CG1 4.07Å; V398-V414 HydrophobicContact CG1-CG1 4.14Å; V398-V414 HydrophobicContact CG2-CG1 4.22Å; V412-V414 HydrophobicContact CG1-CG2 4.39Å; V412-V414 HydrophobicContact CG2-CG2 3.84Å; V414-K422 HydrophobicContact CB-CG 4.49Å; V414-K422 HydrophobicContact CG1-CB 4.39Å; V414-K422 HydrophobicContact CG1-CD 4.29Å; V414-K422 HydrophobicContact CG1-CG 3.9Å; V414-V572 PolarHBondContact N-O 2.81Å; V414-S573 CarbonylContact O-C 3.21Å; V414-S573 WeakPolarHBondContact O-CA 3.32Å; V414-G574 PolarHBondContact O-N 3.3Å; V414-L596 HydrophobicContact CG1-CB 4.38Å; V414-L596 HydrophobicContact CG2-CD1 4.23Å
415V94.4Very high91Very high0 Ų026.5 Ų26.50%014%0.135CC..EExtended strand (participates in β ladder)trans-117134.2178-175.70000110.9L413 G574 W577 L596 F597 D598 E602L413-V415 HydrophobicContact CD1-CG2 4.16Å; L413-V415 HydrophobicContact CG-CG2 4.25Å; V415-G574 WeakPolarHBondContact CA-O 3.34Å; V415-W577 HydrophobicContact CG1-CB 4.11Å; V415-W577 HydrophobicContact CG2-CE3 3.84Å; V415-W577 HydrophobicContact CG2-CZ3 4.42Å; V415-L596 PolarHBondContact N-O 2.91Å; V415-F597 HydrophobicContact CB-CD1 4.27Å; V415-F597 HydrophobicContact CB-CE1 4.46Å; V415-F597 HydrophobicContact CG1-CD1 4.45Å; V415-D598 PolarHBondContact O-N 3.37Å; V415-D598 VanDerWaalsContact O-N 3.13Å; V415-E602 WeakPolarHBondContact CG1-OE2 3.47Å
416G90.6Very high91.1Very high0 Ų026.3 Ų26.30%013%0.134CC..  trans159-176.717000000112.4K422 G574 R575G416-K422 PolarHBondContact O-NZ 2.92Å; G416-G574 PolarHBondContact N-O 2.93Å; G416-G574 VanDerWaalsContact N-O 3.15Å; G416-R575 CarbonylContact C-O 3.56Å; G416-R575 VanDerWaalsContact O-CA 3.31Å; G416-R575 WeakPolarHBondContact O-CA 3.43Å
417N84.1Confident91.3Very high75 Ų7526.3 Ų26.340%0.40113%0.134SC..  trans-60.4170.3-170.2-69.8-57000114.5I420 K422 K720N417-I420 HydrophobicContact CB-CG2 4.43Å; N417-I420 WeakPolarHBondContact O-CG1 3.37Å; N417-K422 PolarHBondContact O-NZ 3.04Å; N417-K720 PolarHBondContact ND2-NZ 3.43Å
418L79.7Confident91.5Very high94 Ų9426 Ų2649%0.49213%0.133SC..THydrogen-bonded Turntrans-56.8150.4172.2-79.3-179.8000111.2I420 R575L418-I420 PolarHBondContact O-N 3.11Å; L418-I420 VanDerWaalsContact O-N 3.15Å; L418-R575 VanDerWaalsContact CD2-CZ 3.4Å
419Q81Confident91.7Very high175 Ų17522.3 Ų22.382%0.81811%0.113SC*.THydrogen-bonded Turntrans61.420.4172.6-55177.4-10.100116.1R396 G421R396-Q419 PolarHBondContact NH1-O 3.44Å; Q419-G421 PolarHBondContact O-N 3.2Å
420I84.7Confident91.9Very high22 Ų2222.3 Ų22.311%0.11311%0.112CC..SBendtrans-79.7-5.3170.269169.9000113R396 V398 N417 L418 K422 D598R396-I420 VanDerWaalsContact CD-O 3.27Å; R396-I420 WeakPolarHBondContact CD-O 3.2Å; V398-I420 HydrophobicContact CG1-CD1 4.24Å; V398-I420 HydrophobicContact CG2-CD1 4.42Å; N417-I420 HydrophobicContact CB-CG2 4.43Å; N417-I420 WeakPolarHBondContact O-CG1 3.37Å; L418-I420 PolarHBondContact O-N 3.11Å; L418-I420 VanDerWaalsContact O-N 3.15Å; I420-K422 HydrophobicContact CD1-CD 4.07Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.19Å; I420-K422 HydrophobicContact CG1-CG 3.41Å; I420-K422 VanDerWaalsContact CG1-CG 3.41Å; I420-D598 HydrophobicContact CD1-CB 3.56Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.28Å
421G89.3Confident92.1Very high7 Ų721.1 Ų21.17%0.07211%0.107CC..  trans88.431.7-179.800000114.1Q399 Q419 W424 S425Q399-G421 PolarHBondContact NE2-O 3.09Å; Q419-G421 PolarHBondContact O-N 3.2Å; G421-W424 PolarHBondContact O-N 3.25Å; G421-S425 PolarHBondContact O-N 3.23Å; G421-S425 VanDerWaalsContact O-N 3.14Å; G421-S425 PolarHBondContact O-OG 3.42Å
422K94.1Very high92Very high11 Ų1121.8 Ų21.85%0.04811%0.11CC..SBendtrans-57.8-55.6179.9-60.6-167.2-70.6-86.40112.9V414 G416 N417 I420 W424 S425 Y426 G574V414-K422 HydrophobicContact CB-CG 4.49Å; V414-K422 HydrophobicContact CG1-CB 4.39Å; V414-K422 HydrophobicContact CG1-CD 4.29Å; V414-K422 HydrophobicContact CG1-CG 3.9Å; G416-K422 PolarHBondContact O-NZ 2.92Å; N417-K422 PolarHBondContact O-NZ 3.04Å; I420-K422 HydrophobicContact CD1-CD 4.07Å; I420-K422 HydrophobicContact CD1-CG 3.63Å; I420-K422 HydrophobicContact CG1-CD 4.19Å; I420-K422 HydrophobicContact CG1-CG 3.41Å; I420-K422 VanDerWaalsContact CG1-CG 3.41Å; K422-W424 VanDerWaalsContact C-N 3.28Å; K422-W424 PolarHBondContact O-N 3.07Å; K422-S425 WeakPolarHBondContact O-CA 3.31Å; K422-S425 WeakPolarHBondContact O-CB 3.48Å; K422-S425 PolarHBondContact O-N 3.35Å; K422-S425 PolarHBondContact O-OG 3.17Å; K422-Y426 WeakPolarHBondContact O-CE1 3.44Å; K422-G574 WeakPolarHBondContact CD-O 3.36Å; K422-G574 WeakPolarHBondContact CE-O 3.2Å
423T95.1Very high91.8Very high18 Ų1825.2 Ų25.211%0.1112%0.123CC..G310 helixtrans-56.3-44.1178.3-43.10000111.3S425 Y426 L427 F452 I463 W466 D537T423-S425 PolarHBondContact O-N 2.59Å; T423-S425 VanDerWaalsContact O-N 3.11Å; T423-Y426 PolarHBondContact O-N 3.49Å; T423-L427 HydrophobicContact CG2-CB 4.4Å; T423-L427 HydrophobicContact CG2-CD2 4.36Å; T423-L427 WeakPolarHBondContact O-CB 3.3Å; T423-L427 PolarHBondContact O-N 2.88Å; T423-F452 HydrophobicContact CG2-CZ 4.11Å; T423-I463 HydrophobicContact CG2-CD1 4.47Å; T423-I463 HydrophobicContact CG2-CG1 4.32Å; T423-W466 HydrophobicContact CG2-CE3 4.45Å; T423-W466 HydrophobicContact CG2-CZ3 4.17Å; T423-D537 WeakPolarHBondContact CG2-OD2 3.23Å; T423-D537 PolarHBondContact OG1-OD1 3.5Å; T423-D537 PolarHBondContact OG1-OD2 3.12Å
424W94.6Very high91.7Very high27 Ų2725.3 Ų25.310%0.10212%0.123CC..G310 helixtrans-65.5-10.7175.3-75.7106.1000115.1M385 M388 V390 Q399 W403 G421 K422 Y426 L427 P428 W466 L470M385-W424 HydrophobicContact CE-CE3 4.25Å; M385-W424 HydrophobicContact CG-CZ3 4.21Å; M388-W424 HydrophobicContact CE-CH2 3.45Å; M388-W424 VanDerWaalsContact CE-CH2 3.45Å; M388-W424 HydrophobicContact CE-CZ2 4.44Å; M388-W424 HydrophobicContact CE-CZ3 4.07Å; M388-W424 HydrophobicContact SD-CH2 3.72Å; M388-W424 HydrophobicContact SD-CZ2 4.21Å; V390-W424 HydrophobicContact CG1-CD2 4.22Å; V390-W424 HydrophobicContact CG1-CE3 4.14Å; V390-W424 HydrophobicContact CG1-CG 4.5Å; V390-W424 HydrophobicContact CG2-CD2 3.84Å; V390-W424 HydrophobicContact CG2-CE3 3.98Å; V390-W424 HydrophobicContact CG2-CH2 3.96Å; V390-W424 HydrophobicContact CG2-CZ2 3.78Å; V390-W424 HydrophobicContact CG2-CZ3 4.04Å; Q399-W424 VanDerWaalsContact NE2-CB 3.31Å; W403-W424 PolarHBondContact NE1-O 3.21Å; G421-W424 PolarHBondContact O-N 3.25Å; K422-W424 VanDerWaalsContact C-N 3.28Å; K422-W424 PolarHBondContact O-N 3.07Å; W424-Y426 PolarHBondContact O-N 3.31Å; W424-L427 HydrophobicContact CH2-CD2 4.36Å; W424-L427 HydrophobicContact CZ3-CD2 4.37Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.22Å; W424-P428 WeakPolarHBondContact O-CD 3.34Å; W424-W466 HydrophobicContact CH2-CB 4.18Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 4.08Å; W424-W466 AromaticContact CZ2-CD1 3.91Å; W424-W466 AromaticContact CZ2-CD2 3.94Å; W424-W466 HydrophobicContact CZ2-CD2 3.94Å; W424-W466 AromaticContact CZ2-CG 3.72Å; W424-W466 HydrophobicContact CZ2-CG 3.72Å; W424-L470 HydrophobicContact CH2-CD1 4.3Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.26Å
425S95.1Very high91.5Very high0 Ų026.1 Ų26.10%013%0.127CC..G310 helixtrans-72-17.9176.5-58.70000112.4G421 K422 T423G421-S425 PolarHBondContact O-N 3.23Å; G421-S425 VanDerWaalsContact O-N 3.14Å; G421-S425 PolarHBondContact O-OG 3.42Å; K422-S425 WeakPolarHBondContact O-CA 3.31Å; K422-S425 WeakPolarHBondContact O-CB 3.48Å; K422-S425 PolarHBondContact O-N 3.35Å; K422-S425 PolarHBondContact O-OG 3.17Å; T423-S425 PolarHBondContact O-N 2.59Å; T423-S425 VanDerWaalsContact O-N 3.11Å
426Y95.4Very high91.3Very high0 Ų029.2 Ų29.20%014%0.141CC..THydrogen-bonded Turntrans-141.4-21.6-179.155.5-102.8000114.5V412 K422 T423 W424 P428 T429 V430 F452 A535 D537 L571V412-Y426 HydrophobicContact CG1-CD1 4.24Å; K422-Y426 WeakPolarHBondContact O-CE1 3.44Å; T423-Y426 PolarHBondContact O-N 3.49Å; W424-Y426 PolarHBondContact O-N 3.31Å; Y426-P428 VanDerWaalsContact C-CD 3.44Å; Y426-T429 PolarHBondContact O-N 3.22Å; Y426-T429 VanDerWaalsContact O-N 3.11Å; Y426-V430 HydrophobicContact CD2-CG2 4.19Å; Y426-V430 WeakPolarHBondContact O-CG2 3.33Å; Y426-V430 PolarHBondContact O-N 2.86Å; Y426-F452 HydrophobicContact CD2-CE2 4.42Å; Y426-F452 AromaticContact CE2-CE2 3.73Å; Y426-F452 HydrophobicContact CE2-CE2 3.73Å; Y426-F452 AromaticContact CE2-CZ 3.79Å; Y426-F452 HydrophobicContact CE2-CZ 3.79Å; Y426-A535 HydrophobicContact CE2-CB 4.08Å; Y426-D537 VanDerWaalsContact OH-CB 3.27Å; Y426-D537 WeakPolarHBondContact OH-CB 3.3Å; Y426-D537 PolarHBondContact OH-OD1 3.08Å; Y426-L571 HydrophobicContact CD1-CB 4.37Å; Y426-L571 HydrophobicContact CD2-CB 4.22Å; Y426-L571 HydrophobicContact CD2-CD1 3.7Å; Y426-L571 HydrophobicContact CG-CB 4.14Å; Y426-L571 HydrophobicContact CG-CD1 3.88Å; Y426-L571 HydrophobicContact CG-CG 4.42Å
427L95.9Very high91.3Very high0 Ų031.3 Ų31.30%015%0.153CC..Hα-helixtrans-50.9-45-179.8-176.967.9000114.4T423 W424 T429 V430 C431 F452 I463 W466 M467 L470T423-L427 HydrophobicContact CG2-CB 4.4Å; T423-L427 HydrophobicContact CG2-CD2 4.36Å; T423-L427 WeakPolarHBondContact O-CB 3.3Å; T423-L427 PolarHBondContact O-N 2.88Å; W424-L427 HydrophobicContact CH2-CD2 4.36Å; W424-L427 HydrophobicContact CZ3-CD2 4.37Å; L427-T429 VanDerWaalsContact C-N 3.32Å; L427-T429 PolarHBondContact O-N 3.17Å; L427-V430 PolarHBondContact O-N 3.47Å; L427-C431 PolarHBondContact O-N 2.8Å; L427-C431 PolarHBondContact O-SG 2.83Å; L427-F452 HydrophobicContact CD1-CE2 3.97Å; L427-I463 HydrophobicContact CD1-CG2 4.35Å; L427-W466 HydrophobicContact CD2-CB 3.75Å; L427-W466 HydrophobicContact CD2-CE3 4.04Å; L427-M467 HydrophobicContact CD1-CE 3.6Å; L427-M467 HydrophobicContact CD1-CG 3.76Å; L427-L470 HydrophobicContact CD2-CD1 4.13Å; L427-L470 HydrophobicContact CG-CD1 3.91Å
428P94.4Very high91.7Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-58.7-43.9178.6-23.534.2000112.7I381 M385 W424 Y426 C431 Q432I381-P428 HydrophobicContact CG2-CB 3.71Å; M385-P428 HydrophobicContact CE-CB 4.19Å; M385-P428 HydrophobicContact CE-CG 3.43Å; M385-P428 VanDerWaalsContact CE-CG 3.43Å; M385-P428 HydrophobicContact CG-CG 4.32Å; M385-P428 HydrophobicContact SD-CB 3.58Å; M385-P428 VanDerWaalsContact SD-CB 3.58Å; M385-P428 HydrophobicContact SD-CG 3.5Å; M385-P428 VanDerWaalsContact SD-CG 3.5Å; W424-P428 HydrophobicContact CE3-CG 3.93Å; W424-P428 HydrophobicContact CZ3-CG 4.22Å; W424-P428 WeakPolarHBondContact O-CD 3.34Å; Y426-P428 VanDerWaalsContact C-CD 3.44Å; P428-C431 PolarHBondContact O-N 3.26Å; P428-Q432 WeakPolarHBondContact O-CB 3.37Å; P428-Q432 PolarHBondContact O-N 3.03Å
429T92.5Very high92.1Very high6 Ų626.4 Ų26.44%0.03713%0.125CC..Hα-helixtrans-68.5-38.1178.5-53.70000111.7V406 Y426 L427 Q432 R433V406-T429 HydrophobicContact CG1-CG2 3.94Å; Y426-T429 PolarHBondContact O-N 3.22Å; Y426-T429 VanDerWaalsContact O-N 3.11Å; L427-T429 VanDerWaalsContact C-N 3.32Å; L427-T429 PolarHBondContact O-N 3.17Å; T429-Q432 PolarHBondContact O-N 2.85Å; T429-R433 HydrophobicContact CG2-CG 4.14Å; T429-R433 WeakPolarHBondContact O-CB 3.22Å; T429-R433 VanDerWaalsContact O-CG 3.32Å; T429-R433 WeakPolarHBondContact O-CG 3.47Å; T429-R433 PolarHBondContact O-N 3.33Å
430V94.8Very high92.4Very high5 Ų525.7 Ų25.73%0.0312%0.115CC..Hα-helixtrans-59.6-49.3174.8171.50000110.6Y426 L427 S434 C450 F452 I505 L571Y426-V430 HydrophobicContact CD2-CG2 4.19Å; Y426-V430 WeakPolarHBondContact O-CG2 3.33Å; Y426-V430 PolarHBondContact O-N 2.86Å; L427-V430 PolarHBondContact O-N 3.47Å; V430-S434 WeakPolarHBondContact O-CB 3.49Å; V430-S434 PolarHBondContact O-N 3.16Å; V430-C450 HydrophobicContact CG1-CB 4.12Å; V430-F452 HydrophobicContact CG1-CD2 4.48Å; V430-I505 HydrophobicContact CG1-CD1 4.2Å; V430-L571 HydrophobicContact CG2-CD1 3.33Å
431C95.1Very high92.5Very high0 Ų026.2 Ų26.20%012%0.115CC..Hα-helixtrans-62-48.8178.8-67.10000111.7L427 P428 S434 H435 L470 L471L427-C431 PolarHBondContact O-N 2.8Å; L427-C431 PolarHBondContact O-SG 2.83Å; P428-C431 PolarHBondContact O-N 3.26Å; C431-S434 PolarHBondContact O-N 3.18Å; C431-H435 WeakPolarHBondContact O-CB 3.27Å; C431-H435 PolarHBondContact O-N 3.4Å; C431-L470 HydrophobicContact CB-CB 3.98Å; C431-L470 HydrophobicContact CB-CD1 4.21Å; C431-L471 HydrophobicContact CB-CD2 3.92Å; C431-L471 HydrophobicContact CB-CG 4.09Å; C431-L471 WeakPolarHBondContact O-CD2 3.31Å
432Q93.1Very high92.2Very high17 Ų1729.5 Ų29.58%0.07914%0.136CC..Hα-helixtrans-59.7-51.8-178.7-168.6-177.7-54.900112.1D376 S378 I381 P428 T429 H435 E436D376-Q432 PolarHBondContact O-NE2 3.47Å; S378-Q432 PolarHBondContact OG-OE1 2.97Å; I381-Q432 HydrophobicContact CG1-CB 4.05Å; I381-Q432 HydrophobicContact CG1-CG 4.23Å; P428-Q432 WeakPolarHBondContact O-CB 3.37Å; P428-Q432 PolarHBondContact O-N 3.03Å; T429-Q432 PolarHBondContact O-N 2.85Å; Q432-H435 PolarHBondContact O-N 3.35Å; Q432-E436 WeakPolarHBondContact CG-OE1 3.22Å; Q432-E436 PolarHBondContact NE2-OE1 2.95Å; Q432-E436 WeakPolarHBondContact O-CB 3.23Å; Q432-E436 WeakPolarHBondContact O-CG 3.28Å; Q432-E436 PolarHBondContact O-N 3.44Å
433R91.2Very high91.5Very high73 Ų7335.3 Ų35.328%0.27517%0.167SC..Hα-helixtrans-67.7-40.6-177.7-70.6178169.7-141.6-17.5112.3S407 G409 T429 H435 E436 D437S407-R433 VanDerWaalsContact C-NH2 3.35Å; S407-R433 PolarHBondContact O-NH2 2.93Å; G409-R433 VanDerWaalsContact CA-CZ 3.44Å; G409-R433 VanDerWaalsContact CA-NH2 3.28Å; T429-R433 HydrophobicContact CG2-CG 4.14Å; T429-R433 WeakPolarHBondContact O-CB 3.22Å; T429-R433 VanDerWaalsContact O-CG 3.32Å; T429-R433 WeakPolarHBondContact O-CG 3.47Å; T429-R433 PolarHBondContact O-N 3.33Å; R433-H435 VanDerWaalsContact C-N 3.27Å; R433-H435 PolarHBondContact O-N 3.11Å; R433-E436 PolarHBondContact O-N 3.49Å; R433-D437 VanDerWaalsContact O-CB 3.3Å; R433-D437 WeakPolarHBondContact O-CB 3.24Å; R433-D437 PolarHBondContact O-N 2.9Å
434S93.5Very high90.9Very high1 Ų140.3 Ų40.31%0.00720%0.197CC..Hα-helixtrans-55.7-47.8175.4-179.40000110.8V430 C431 L438 G504 I505V430-S434 WeakPolarHBondContact O-CB 3.49Å; V430-S434 PolarHBondContact O-N 3.16Å; C431-S434 PolarHBondContact O-N 3.18Å; S434-L438 WeakPolarHBondContact O-CB 3.4Å; S434-L438 PolarHBondContact O-N 2.9Å; S434-G504 WeakPolarHBondContact OG-CA 3.49Å; S434-G504 PolarHBondContact OG-O 3.14Å; S434-I505 WeakPolarHBondContact OG-CG1 3.45Å
435H92.7Very high90.4Very high17 Ų1739.8 Ų39.88%0.07920%0.201CC..Hα-helixtrans-64.9-51178.2-179.176.7000111.9C431 Q432 R433 D437 L438 Q439 L471 L474 G475 D482C431-H435 WeakPolarHBondContact O-CB 3.27Å; C431-H435 PolarHBondContact O-N 3.4Å; Q432-H435 PolarHBondContact O-N 3.35Å; R433-H435 VanDerWaalsContact C-N 3.27Å; R433-H435 PolarHBondContact O-N 3.11Å; H435-D437 VanDerWaalsContact C-N 3.33Å; H435-D437 PolarHBondContact O-N 3.3Å; H435-L438 WeakPolarHBondContact O-CB 3.32Å; H435-L438 PolarHBondContact O-N 3.02Å; H435-L438 VanDerWaalsContact O-N 3.16Å; H435-Q439 PolarHBondContact CE1-NE2 3.49Å; H435-Q439 WeakPolarHBondContact O-CG 3.32Å; H435-Q439 PolarHBondContact O-N 3.34Å; H435-L471 HydrophobicContact CB-CD2 3.94Å; H435-L474 HydrophobicContact CB-CD1 3.85Å; H435-G475 PolarHBondContact CE1-O 3.16Å; H435-D482 IonicContact ND1-OD1 2.68Å; H435-D482 PolarHBondContact ND1-OD1 3.36Å
436E91.1Very high90.2Very high65 Ų6545.8 Ų45.830%0.30422%0.223SC..Hα-helixtrans-58.5-42.3179.8-75.9-178.4-152.300113Q432 R433 Q439 R440Q432-E436 WeakPolarHBondContact CG-OE1 3.22Å; Q432-E436 PolarHBondContact NE2-OE1 2.95Å; Q432-E436 WeakPolarHBondContact O-CB 3.23Å; Q432-E436 WeakPolarHBondContact O-CG 3.28Å; Q432-E436 PolarHBondContact O-N 3.44Å; R433-E436 PolarHBondContact O-N 3.49Å; E436-Q439 PolarHBondContact O-N 2.94Å; E436-R440 WeakPolarHBondContact O-CG 3.32Å; E436-R440 PolarHBondContact O-N 2.89Å; E436-R440 PolarHBondContact O-NH1 3.37Å; E436-R440 IonicContact OE2-CZ 2.68Å; E436-R440 IonicContact OE2-NH1 2.86Å; E436-R440 IonicContact OE2-NH2 3.9Å; E436-R440 PolarHBondContact OE2-NH2 2.95Å
437D90.6Very high90Very high45 Ų4545.8 Ų45.824%0.24122%0.223CC..Hα-helixtrans-73.7-33177.9-74.6-16000111.9R433 H435 Q439 R440 R441 T449R433-D437 VanDerWaalsContact O-CB 3.3Å; R433-D437 WeakPolarHBondContact O-CB 3.24Å; R433-D437 PolarHBondContact O-N 2.9Å; H435-D437 VanDerWaalsContact C-N 3.33Å; H435-D437 PolarHBondContact O-N 3.3Å; D437-Q439 VanDerWaalsContact C-N 3.32Å; D437-R440 PolarHBondContact O-N 2.87Å; D437-R440 IonicContact OD1-NH1 3.78Å; D437-R440 PolarHBondContact OD1-NH1 2.91Å; D437-R441 WeakPolarHBondContact O-CG 3.28Å; D437-R441 PolarHBondContact O-N 3.48Å; D437-T449 HydrophobicContact CB-CG2 3.61Å
438L91.3Very high90Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-61.9-40.4172.6-175.162.7000111.3S434 H435 R440 R441 F480 P502S434-L438 WeakPolarHBondContact O-CB 3.4Å; S434-L438 PolarHBondContact O-N 2.9Å; H435-L438 WeakPolarHBondContact O-CB 3.32Å; H435-L438 PolarHBondContact O-N 3.02Å; H435-L438 VanDerWaalsContact O-N 3.16Å; L438-R440 PolarHBondContact O-N 3.41Å; L438-R441 WeakPolarHBondContact O-CB 3.46Å; L438-R441 PolarHBondContact O-N 3.32Å; L438-F480 HydrophobicContact CD1-CB 3.91Å; L438-F480 HydrophobicContact CD1-CD2 3.94Å; L438-F480 HydrophobicContact CD1-CG 4.22Å; L438-F480 HydrophobicContact CD2-CB 4Å; L438-F480 HydrophobicContact CG-CB 4.15Å; L438-F480 HydrophobicContact CG-CD2 4.3Å; L438-P502 HydrophobicContact CD1-CB 3.81Å
439Q88.6Confident90Very high66 Ų6645.9 Ų45.931%0.30822%0.223SC..Hα-helixtrans-64-27.6175.5-65-50.4-4100113H435 E436 D437 S478H435-Q439 PolarHBondContact CE1-NE2 3.49Å; H435-Q439 WeakPolarHBondContact O-CG 3.32Å; H435-Q439 PolarHBondContact O-N 3.34Å; E436-Q439 PolarHBondContact O-N 2.94Å; D437-Q439 VanDerWaalsContact C-N 3.32Å; Q439-S478 PolarHBondContact NE2-OG 3.26Å; Q439-S478 VanDerWaalsContact OE1-CB 3.27Å
440R88.5Confident90.2Very high160 Ų16045.7 Ų45.760%0.60422%0.222SC*.THydrogen-bonded Turntrans-90.2-5.8179.5-62.7174.1-162.3117.83.6113E436 D437 L438E436-R440 WeakPolarHBondContact O-CG 3.32Å; E436-R440 PolarHBondContact O-N 2.89Å; E436-R440 PolarHBondContact O-NH1 3.37Å; E436-R440 IonicContact OE2-CZ 2.68Å; E436-R440 IonicContact OE2-NH1 2.86Å; E436-R440 IonicContact OE2-NH2 3.9Å; E436-R440 PolarHBondContact OE2-NH2 2.95Å; D437-R440 PolarHBondContact O-N 2.87Å; D437-R440 IonicContact OD1-NH1 3.78Å; D437-R440 PolarHBondContact OD1-NH1 2.91Å; L438-R440 PolarHBondContact O-N 3.41Å
441R86.6Confident90.4Very high32 Ų3245.5 Ų45.512%0.12122%0.221CC..SBendtrans-76.9139.6-175.6-75.2-120.6-168.9144.80.3111.3D437 L438 G447 P448 T449 P502 A530D437-R441 WeakPolarHBondContact O-CG 3.28Å; D437-R441 PolarHBondContact O-N 3.48Å; L438-R441 WeakPolarHBondContact O-CB 3.46Å; L438-R441 PolarHBondContact O-N 3.32Å; R441-G447 PolarHBondContact NH1-O 3.3Å; R441-P448 VanDerWaalsContact NH2-C 3.34Å; R441-P448 PolarHBondContact NH2-O 2.86Å; R441-T449 PolarHBondContact NH2-OG1 3.1Å; R441-P502 HydrophobicContact CB-CB 4.24Å; R441-A530 PolarHBondContact NH2-O 3.27Å
442P83Confident90.5Very high77 Ų7745.5 Ų45.550%0.522%0.221SC..  trans-71.8150.6171.231.6-34.5000110.6V444 G445 P502P442-V444 HydrophobicContact CB-CG2 4.03Å; P442-V444 HydrophobicContact CG-CG2 4.47Å; P442-V444 PolarHBondContact O-N 3.04Å; P442-V444 VanDerWaalsContact O-N 3.08Å; P442-G445 PolarHBondContact O-N 3.28Å; P442-P502 WeakPolarHBondContact O-CG 3.39Å
443D79.5Confident90.8Very high132 Ų13244.7 Ų44.771%0.70622%0.217SC*.THydrogen-bonded Turntrans-59-24.6180-62.2-10.2000114G445 F480D443-G445 VanDerWaalsContact C-N 3.33Å; D443-F480 HydrophobicContact CB-CZ 4.38Å; D443-F480 WeakPolarHBondContact OD1-CZ 3.4Å
444V81.7Confident91Very high123 Ų12341.2 Ų41.275%0.74520%0.204SC*.THydrogen-bonded Turntrans-82-6.7176.3-86.50000114.1P442P442-V444 HydrophobicContact CB-CG2 4.03Å; P442-V444 HydrophobicContact CG-CG2 4.47Å; P442-V444 PolarHBondContact O-N 3.04Å; P442-V444 VanDerWaalsContact O-N 3.08Å
445G83.8Confident90.8Very high17 Ų1741.7 Ų41.718%0.17521%0.207CC..  trans-65.716217500000112.5P442 D443 P502P442-G445 PolarHBondContact O-N 3.28Å; D443-G445 VanDerWaalsContact C-N 3.33Å; G445-P502 WeakPolarHBondContact O-CD 3.45Å; G445-P502 WeakPolarHBondContact O-CG 3.32Å
446R90.1Very high90.6Very high126 Ų12644.1 Ų44.148%0.47522%0.221SC..  trans-135.6134.1-176.6-51.5-175.3-156.7-173.45.7112.5K500 D527R446-K500 WeakPolarHBondContact CG-O 3.46Å; R446-D527 PolarHBondContact O-N 3.36Å
447G92.7Very high90.6Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans73.6-164.4169.400000115.6R441 L499 K501 V503R441-G447 PolarHBondContact NH1-O 3.3Å; G447-L499 WeakPolarHBondContact CA-O 3.49Å; G447-L499 PolarHBondContact N-O 2.98Å; G447-K501 WeakPolarHBondContact CA-O 3.12Å; G447-K501 PolarHBondContact N-O 2.91Å; G447-V503 PolarHBondContact O-N 2.84Å
448P95.4Very high90.6Very high0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-77.2152.1-161.230-30.6000112.4R441 C450 I451 V503 L506 V531R441-P448 VanDerWaalsContact NH2-C 3.34Å; R441-P448 PolarHBondContact NH2-O 2.86Å; P448-C450 WeakPolarHBondContact CB-O 3.23Å; P448-I451 HydrophobicContact CB-CG1 4.46Å; P448-I451 HydrophobicContact CG-CD1 4.34Å; P448-I451 HydrophobicContact CG-CG1 3.84Å; P448-V503 CarbonylContact C-O 3.57Å; P448-V503 VanDerWaalsContact CA-O 3.23Å; P448-V503 WeakPolarHBondContact CA-O 3.49Å; P448-L506 HydrophobicContact CB-CB 3.82Å; P448-L506 HydrophobicContact CG-CB 3.98Å; P448-L506 HydrophobicContact CG-CD2 4.45Å; P448-V531 HydrophobicContact CG-CG2 4.27Å; P448-V531 WeakPolarHBondContact O-CG2 3.09Å
449T94.9Very high90.5Very high1 Ų147.3 Ų47.31%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-80.3-38162-58.40000110.9D437 R441 V503 G504 V531 K532D437-T449 HydrophobicContact CB-CG2 3.61Å; R441-T449 PolarHBondContact NH2-OG1 3.1Å; T449-V503 PolarHBondContact N-O 3.2Å; T449-G504 CarbonylContact C-O 3.59Å; T449-G504 WeakPolarHBondContact CA-O 3.08Å; T449-G504 WeakPolarHBondContact CB-O 3.48Å; T449-G504 PolarHBondContact N-O 2.83Å; T449-V531 CarbonylContact O-C 3.52Å; T449-V531 WeakPolarHBondContact O-CA 3.43Å; T449-K532 HydrophobicContact CG2-CB 4.25Å; T449-K532 HydrophobicContact CG2-CG 4.1Å; T449-K532 PolarHBondContact O-N 2.87Å
450C96.9Very high90.7Very high2 Ų244.2 Ų44.21%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-128.1140.3-179.8-62.60000110.7V430 P448 G504 I505 L506 C533V430-C450 HydrophobicContact CG1-CB 4.12Å; P448-C450 WeakPolarHBondContact CB-O 3.23Å; C450-G504 PolarHBondContact N-O 3.09Å; C450-I505 HydrophobicContact CB-CG1 4.22Å; C450-I505 HydrophobicContact CB-CG2 4.41Å; C450-I505 CarbonylContact O-C 3.58Å; C450-I505 WeakPolarHBondContact O-CA 3.29Å; C450-L506 PolarHBondContact O-N 2.96Å; C450-C533 CarbonylContact C-O 3.51Å; C450-C533 VanDerWaalsContact CA-O 3.3Å; C450-C533 WeakPolarHBondContact CA-O 3.4Å; C450-C533 HydrophobicContact CB-CB 4.36Å
451I97.8Very high91Very high1 Ų141.2 Ų41.21%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-110.1127170.2-58.7175000108P448 V453 L506 L513 F526 V531 C533 I534 A535 F561P448-I451 HydrophobicContact CB-CG1 4.46Å; P448-I451 HydrophobicContact CG-CD1 4.34Å; P448-I451 HydrophobicContact CG-CG1 3.84Å; I451-V453 HydrophobicContact CG2-CG2 4.05Å; I451-L506 CarbonylContact C-O 3.54Å; I451-L513 HydrophobicContact CD1-CD1 4.44Å; I451-L513 HydrophobicContact CG2-CD1 4.12Å; I451-L513 HydrophobicContact CG2-CD2 3.91Å; I451-F526 HydrophobicContact CD1-CE2 4.3Å; I451-F526 HydrophobicContact CD1-CZ 4.25Å; I451-V531 HydrophobicContact CD1-CG1 4.17Å; I451-V531 HydrophobicContact CD1-CG2 4.14Å; I451-V531 HydrophobicContact CG1-CG1 4.13Å; I451-V531 HydrophobicContact CG1-CG2 4.43Å; I451-C533 PolarHBondContact N-O 3.24Å; I451-I534 HydrophobicContact CB-CG1 4.36Å; I451-I534 CarbonylContact O-C 3.57Å; I451-I534 VanDerWaalsContact O-CA 3.29Å; I451-I534 WeakPolarHBondContact O-CA 3.47Å; I451-A535 PolarHBondContact O-N 2.72Å; I451-F561 HydrophobicContact CD1-CE1 4.25Å; I451-F561 HydrophobicContact CD1-CZ 3.8Å
452F98.3Very high91.3Very high0 Ų044.6 Ų44.60%024%0.242CC..EExtended strand (participates in β ladder)trans-119117.9178.5-155.3-66.4000109T423 Y426 L427 V430 I463 M467 I505 L506 L507 T508 A535 D537T423-F452 HydrophobicContact CG2-CZ 4.11Å; Y426-F452 HydrophobicContact CD2-CE2 4.42Å; Y426-F452 AromaticContact CE2-CE2 3.73Å; Y426-F452 HydrophobicContact CE2-CE2 3.73Å; Y426-F452 AromaticContact CE2-CZ 3.79Å; Y426-F452 HydrophobicContact CE2-CZ 3.79Å; L427-F452 HydrophobicContact CD1-CE2 3.97Å; V430-F452 HydrophobicContact CG1-CD2 4.48Å; F452-I463 HydrophobicContact CD1-CG2 4.4Å; F452-I463 HydrophobicContact CE1-CD1 3.79Å; F452-I463 HydrophobicContact CE1-CG2 4.08Å; F452-I463 HydrophobicContact CZ-CD1 4.34Å; F452-I463 HydrophobicContact CZ-CG2 4.14Å; F452-M467 HydrophobicContact CB-CE 3.95Å; F452-M467 HydrophobicContact CD1-CE 4.34Å; F452-M467 HydrophobicContact CD2-CE 3.22Å; F452-M467 HydrophobicContact CE2-CE 3.72Å; F452-M467 HydrophobicContact CG-CE 3.58Å; F452-M467 HydrophobicContact CZ-CE 4.48Å; F452-I505 HydrophobicContact CB-CG2 4.11Å; F452-L506 PolarHBondContact N-O 2.89Å; F452-L507 HydrophobicContact CB-CD1 3.85Å; F452-L507 HydrophobicContact CD1-CD1 3.6Å; F452-L507 HydrophobicContact CG-CD1 4Å; F452-L507 WeakPolarHBondContact O-CA 3.46Å; F452-T508 PolarHBondContact O-N 3.18Å; F452-A535 HydrophobicContact CD1-CB 4.43Å; F452-A535 HydrophobicContact CD2-CB 3.57Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.98Å; F452-A535 HydrophobicContact CZ-CB 4.17Å; F452-D537 HydrophobicContact CE1-CB 3.58Å; F452-D537 HydrophobicContact CZ-CB 3.94Å
453V98Very high91.9Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-110.9130.8-179.2-169.20000108.6I451 T508 V510 L513 A535 L536 D537 M542I451-V453 HydrophobicContact CG2-CG2 4.05Å; V453-T508 WeakPolarHBondContact CA-O 3.26Å; V453-V510 HydrophobicContact CG1-CG2 3.82Å; V453-L513 HydrophobicContact CG2-CD2 3.53Å; V453-A535 PolarHBondContact N-O 3.49Å; V453-L536 HydrophobicContact CB-CD2 3.88Å; V453-L536 HydrophobicContact CG2-CD2 3.9Å; V453-D537 PolarHBondContact O-N 3.41Å; V453-M542 HydrophobicContact CB-CE 4.08Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 3.98Å; V453-M542 WeakPolarHBondContact O-CE 3.37Å
454C95.5Very high92.7Very high0 Ų037.5 Ų37.50%020%0.199CC..  trans-131165.4172.168.60000111.2N456 G460 I463 W487 T508C454-N456 PolarHBondContact O-N 2.9Å; C454-N456 PolarHBondContact SG-O 2.78Å; C454-N456 VanDerWaalsContact SG-O 3.38Å; C454-G460 WeakPolarHBondContact SG-CA 3.32Å; C454-G460 PolarHBondContact SG-N 2.89Å; C454-I463 HydrophobicContact CB-CD1 4.15Å; C454-W487 WeakPolarHBondContact SG-CH2 3.29Å; C454-T508 PolarHBondContact N-O 3.04Å
455P90.6Very high93.3Very high11 Ų1140.4 Ų40.47%0.07120%0.196CC..SBendtrans-68.7-30.8-171.3-19.632.9000114.5D537 N538 D541 M542P455-D537 WeakPolarHBondContact CD-O 3.19Å; P455-N538 HydrophobicContact CG-CB 3.82Å; P455-D541 HydrophobicContact CB-CB 3.74Å; P455-D541 HydrophobicContact CG-CB 3.53Å; P455-M542 HydrophobicContact CB-CG 4.27Å; P455-M542 HydrophobicContact CG-CG 4.05Å
456N88.5Confident93.8Very high68 Ų6842.6 Ų42.636%0.36420%0.199SC..SBendtrans-157.3165.2-177.860.566.3000112.5C454 G458 Q459 G460C454-N456 PolarHBondContact O-N 2.9Å; C454-N456 PolarHBondContact SG-O 2.78Å; C454-N456 VanDerWaalsContact SG-O 3.38Å; N456-G458 VanDerWaalsContact C-N 3.29Å; N456-G458 PolarHBondContact O-N 2.97Å; N456-G458 PolarHBondContact OD1-N 3.47Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; N456-Q459 PolarHBondContact O-N 3.43Å; N456-Q459 PolarHBondContact OD1-N 2.94Å; N456-G460 PolarHBondContact O-N 2.96Å
457Q90.6Very high94.1Very high90 Ų9036.6 Ų36.642%0.42118%0.176SC..Hα-helixtrans-59.6-33.5179.9-176.3-178.136.300113.5G460 K461 W487Q457-G460 PolarHBondContact O-N 3.22Å; Q457-K461 HydrophobicContact CG-CD 4.26Å; Q457-K461 HydrophobicContact CG-CG 4.27Å; Q457-K461 WeakPolarHBondContact O-CG 3.42Å; Q457-K461 PolarHBondContact O-N 2.84Å; Q457-W487 HydrophobicContact CB-CB 4.49Å; Q457-W487 HydrophobicContact CB-CD2 3.99Å; Q457-W487 HydrophobicContact CB-CE3 3.92Å; Q457-W487 HydrophobicContact CB-CG 4.25Å; Q457-W487 HydrophobicContact CG-CB 4.02Å; Q457-W487 HydrophobicContact CG-CD2 3.79Å; Q457-W487 HydrophobicContact CG-CE3 4.25Å; Q457-W487 HydrophobicContact CG-CG 3.66Å
458G89.9Confident94Very high52 Ų5239.5 Ų39.554%0.53620%0.197SC..Hα-helixtrans-62.5-49.7179.500000112.1N456 G460 Q462N456-G458 VanDerWaalsContact C-N 3.29Å; N456-G458 PolarHBondContact O-N 2.97Å; N456-G458 PolarHBondContact OD1-N 3.47Å; N456-G458 VanDerWaalsContact OD1-N 3.11Å; G458-G460 VanDerWaalsContact C-N 3.32Å; G458-Q462 PolarHBondContact O-N 2.97Å
459Q89.1Confident93.8Very high36 Ų3642.1 Ų42.117%0.16821%0.213CC..Hα-helixtrans-64.2-39.8172.7-67.3-174.513.700111.3N456 K461 Q462 I463 N538N456-Q459 PolarHBondContact O-N 3.43Å; N456-Q459 PolarHBondContact OD1-N 2.94Å; Q459-K461 PolarHBondContact O-N 3.48Å; Q459-Q462 WeakPolarHBondContact O-CB 3.42Å; Q459-Q462 PolarHBondContact O-N 2.78Å; Q459-I463 WeakPolarHBondContact O-CG1 3.36Å; Q459-I463 PolarHBondContact O-N 3.44Å; Q459-N538 PolarHBondContact OE1-ND2 2.82Å
460G94.1Very high93.8Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-56.1-50.3176.100000113.5C454 N456 Q457 G458 Q462 I463 E464 W487 L507C454-G460 WeakPolarHBondContact SG-CA 3.32Å; C454-G460 PolarHBondContact SG-N 2.89Å; N456-G460 PolarHBondContact O-N 2.96Å; Q457-G460 PolarHBondContact O-N 3.22Å; G458-G460 VanDerWaalsContact C-N 3.32Å; G460-Q462 VanDerWaalsContact C-N 3.26Å; G460-Q462 PolarHBondContact O-N 3.11Å; G460-I463 PolarHBondContact O-N 3.37Å; G460-I463 VanDerWaalsContact O-N 3.1Å; G460-E464 WeakPolarHBondContact O-CB 3.26Å; G460-E464 PolarHBondContact O-N 2.86Å; G460-W487 VanDerWaalsContact CA-CZ2 3.47Å; G460-L507 WeakPolarHBondContact O-CD2 3.18Å
461K94.2Very high93.5Very high98 Ų9842.3 Ų42.343%0.42621%0.214SC..Hα-helixtrans-59.5-35.1177.2-76.3179175.5179.10112.7Q457 Q459 R465Q457-K461 HydrophobicContact CG-CD 4.26Å; Q457-K461 HydrophobicContact CG-CG 4.27Å; Q457-K461 WeakPolarHBondContact O-CG 3.42Å; Q457-K461 PolarHBondContact O-N 2.84Å; Q459-K461 PolarHBondContact O-N 3.48Å; K461-R465 WeakPolarHBondContact O-CG 3.3Å; K461-R465 PolarHBondContact O-N 3.35Å
462Q93.4Very high93Very high102 Ų10247 Ų4748%0.47725%0.245SC..Hα-helixtrans-67.8-44175.1-175.7176.126.600111.6G458 Q459 G460 R465 W466G458-Q462 PolarHBondContact O-N 2.97Å; Q459-Q462 WeakPolarHBondContact O-CB 3.42Å; Q459-Q462 PolarHBondContact O-N 2.78Å; G460-Q462 VanDerWaalsContact C-N 3.26Å; G460-Q462 PolarHBondContact O-N 3.11Å; Q462-R465 PolarHBondContact O-N 3.31Å; Q462-W466 HydrophobicContact CG-CD2 4.42Å; Q462-W466 HydrophobicContact CG-CH2 3.79Å; Q462-W466 HydrophobicContact CG-CZ2 3.58Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 VanDerWaalsContact NE2-CZ2 3.34Å; Q462-W466 PolarHBondContact O-N 2.97Å
463I95.6Very high92.2Very high4 Ų450 Ų502%0.02126%0.261CS..Hα-helixtrans-66.1-40.9178-66.9164.9000110.9T423 L427 F452 C454 Q459 G460 R465 W466 M467 L507T423-I463 HydrophobicContact CG2-CD1 4.47Å; T423-I463 HydrophobicContact CG2-CG1 4.32Å; L427-I463 HydrophobicContact CD1-CG2 4.35Å; F452-I463 HydrophobicContact CD1-CG2 4.4Å; F452-I463 HydrophobicContact CE1-CD1 3.79Å; F452-I463 HydrophobicContact CE1-CG2 4.08Å; F452-I463 HydrophobicContact CZ-CD1 4.34Å; F452-I463 HydrophobicContact CZ-CG2 4.14Å; C454-I463 HydrophobicContact CB-CD1 4.15Å; Q459-I463 WeakPolarHBondContact O-CG1 3.36Å; Q459-I463 PolarHBondContact O-N 3.44Å; G460-I463 PolarHBondContact O-N 3.37Å; G460-I463 VanDerWaalsContact O-N 3.1Å; I463-R465 VanDerWaalsContact C-N 3.33Å; I463-R465 PolarHBondContact O-N 3.44Å; I463-W466 HydrophobicContact CB-CE3 4.49Å; I463-W466 HydrophobicContact CG1-CE3 4.08Å; I463-W466 HydrophobicContact CG1-CZ3 4Å; I463-W466 WeakPolarHBondContact O-CB 3.43Å; I463-W466 PolarHBondContact O-N 3.16Å; I463-W466 VanDerWaalsContact O-N 3.13Å; I463-M467 HydrophobicContact CG2-CE 3.62Å; I463-M467 HydrophobicContact CG2-CG 4.25Å; I463-M467 HydrophobicContact CG2-SD 4.04Å; I463-M467 WeakPolarHBondContact O-CG 3.48Å; I463-M467 PolarHBondContact O-N 3Å; I463-L507 HydrophobicContact CG2-CD1 4.38Å; I463-L507 HydrophobicContact CG2-CD2 4.46Å
464E95.7Very high91.5Very high57 Ų5751.7 Ų51.727%0.26627%0.27SS..Hα-helixtrans-54.7-47.7174.2-178.1177.9-16300111.1G460 W466 M467 S468 T485 L507G460-E464 WeakPolarHBondContact O-CB 3.26Å; G460-E464 PolarHBondContact O-N 2.86Å; E464-W466 VanDerWaalsContact C-N 3.33Å; E464-W466 PolarHBondContact O-N 2.85Å; E464-M467 PolarHBondContact O-N 2.67Å; E464-S468 WeakPolarHBondContact O-CB 3.22Å; E464-S468 PolarHBondContact O-N 3.14Å; E464-S468 PolarHBondContact O-OG 2.89Å; E464-S468 VanDerWaalsContact O-OG 3.05Å; E464-T485 VanDerWaalsContact CD-CG2 3.41Å; E464-T485 HydrophobicContact CG-CG2 3.99Å; E464-T485 VanDerWaalsContact OE1-CG2 3.25Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.42Å; E464-L507 HydrophobicContact CB-CD2 3.85Å
465R94Very high90.4Very high184 Ų18453.4 Ų53.469%0.69429%0.288SS*.Hα-helixtrans-57.3-45.1175.7-70.6172.7-172.2-179.70.5112K461 Q462 I463 S468 T469K461-R465 WeakPolarHBondContact O-CG 3.3Å; K461-R465 PolarHBondContact O-N 3.35Å; Q462-R465 PolarHBondContact O-N 3.31Å; I463-R465 VanDerWaalsContact C-N 3.33Å; I463-R465 PolarHBondContact O-N 3.44Å; R465-S468 PolarHBondContact O-N 3.11Å; R465-T469 PolarHBondContact O-N 2.84Å; R465-T469 VanDerWaalsContact O-N 3.12Å; R465-T469 PolarHBondContact O-OG1 3.47Å; R465-T469 VanDerWaalsContact O-OG1 3.13Å
466W94.8Very high89.2Confident62 Ų6256.4 Ų56.424%0.23531%0.309CS..Hα-helixtrans-64.6-42.4177-62.2-29.9000112.4T423 W424 L427 Q462 I463 E464 T469 L470T423-W466 HydrophobicContact CG2-CE3 4.45Å; T423-W466 HydrophobicContact CG2-CZ3 4.17Å; W424-W466 HydrophobicContact CH2-CB 4.18Å; W424-W466 HydrophobicContact CH2-CG 4.3Å; W424-W466 HydrophobicContact CZ2-CB 4.08Å; W424-W466 AromaticContact CZ2-CD1 3.91Å; W424-W466 AromaticContact CZ2-CD2 3.94Å; W424-W466 HydrophobicContact CZ2-CD2 3.94Å; W424-W466 AromaticContact CZ2-CG 3.72Å; W424-W466 HydrophobicContact CZ2-CG 3.72Å; L427-W466 HydrophobicContact CD2-CB 3.75Å; L427-W466 HydrophobicContact CD2-CE3 4.04Å; Q462-W466 HydrophobicContact CG-CD2 4.42Å; Q462-W466 HydrophobicContact CG-CH2 3.79Å; Q462-W466 HydrophobicContact CG-CZ2 3.58Å; Q462-W466 HydrophobicContact CG-CZ3 4.31Å; Q462-W466 VanDerWaalsContact NE2-CZ2 3.34Å; Q462-W466 PolarHBondContact O-N 2.97Å; I463-W466 HydrophobicContact CB-CE3 4.49Å; I463-W466 HydrophobicContact CG1-CE3 4.08Å; I463-W466 HydrophobicContact CG1-CZ3 4Å; I463-W466 WeakPolarHBondContact O-CB 3.43Å; I463-W466 PolarHBondContact O-N 3.16Å; I463-W466 VanDerWaalsContact O-N 3.13Å; E464-W466 VanDerWaalsContact C-N 3.33Å; E464-W466 PolarHBondContact O-N 2.85Å; W466-T469 PolarHBondContact O-N 3.45Å; W466-L470 VanDerWaalsContact O-CG 3.31Å; W466-L470 WeakPolarHBondContact O-CG 3.25Å; W466-L470 PolarHBondContact O-N 3.22Å
467M95.4Very high87.8Confident0 Ų057.6 Ų57.60%033%0.328CS..Hα-helixtrans-59.7-48.9176-72.7177.2170.700110.8L427 F452 I463 E464 T469 L470 L471 V483 I505 L507L427-M467 HydrophobicContact CD1-CE 3.6Å; L427-M467 HydrophobicContact CD1-CG 3.76Å; F452-M467 HydrophobicContact CB-CE 3.95Å; F452-M467 HydrophobicContact CD1-CE 4.34Å; F452-M467 HydrophobicContact CD2-CE 3.22Å; F452-M467 HydrophobicContact CE2-CE 3.72Å; F452-M467 HydrophobicContact CG-CE 3.58Å; F452-M467 HydrophobicContact CZ-CE 4.48Å; I463-M467 HydrophobicContact CG2-CE 3.62Å; I463-M467 HydrophobicContact CG2-CG 4.25Å; I463-M467 HydrophobicContact CG2-SD 4.04Å; I463-M467 WeakPolarHBondContact O-CG 3.48Å; I463-M467 PolarHBondContact O-N 3Å; E464-M467 PolarHBondContact O-N 2.67Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 2.93Å; M467-L470 PolarHBondContact O-N 3.42Å; M467-L470 VanDerWaalsContact O-N 3.12Å; M467-L471 HydrophobicContact CB-CD1 4.17Å; M467-L471 WeakPolarHBondContact O-CB 3.5Å; M467-L471 WeakPolarHBondContact O-CD1 3.49Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.38Å; M467-L471 PolarHBondContact O-N 3.25Å; M467-V483 HydrophobicContact CB-CG2 4.24Å; M467-V483 HydrophobicContact SD-CG1 4.48Å; M467-I505 HydrophobicContact CE-CD1 4.21Å; M467-I505 HydrophobicContact CE-CG2 4.02Å; M467-I505 HydrophobicContact CG-CD1 4.45Å; M467-I505 HydrophobicContact SD-CD1 4.03Å; M467-I505 HydrophobicContact SD-CG2 4.12Å; M467-L507 HydrophobicContact SD-CD2 4.38Å
468S92.1Very high86.5Confident62 Ų6254.5 Ų54.543%0.43432%0.316SS..Hα-helixtrans-58.2-42.3179.1-61.70000112E464 R465 C472E464-S468 WeakPolarHBondContact O-CB 3.22Å; E464-S468 PolarHBondContact O-N 3.14Å; E464-S468 PolarHBondContact O-OG 2.89Å; E464-S468 VanDerWaalsContact O-OG 3.05Å; R465-S468 PolarHBondContact O-N 3.11Å; S468-C472 WeakPolarHBondContact O-CB 3.32Å; S468-C472 PolarHBondContact O-N 3.4Å
469T91.2Very high85.7Confident54 Ų5455.7 Ų55.733%0.33133%0.329SS..Hα-helixtrans-65.4-41.4175.6-53.80000112.5M388 R465 W466 M467M388-T469 HydrophobicContact CE-CG2 4.04Å; M388-T469 HydrophobicContact CG-CG2 3.84Å; M388-T469 HydrophobicContact SD-CG2 3.66Å; R465-T469 PolarHBondContact O-N 2.84Å; R465-T469 VanDerWaalsContact O-N 3.12Å; R465-T469 PolarHBondContact O-OG1 3.47Å; R465-T469 VanDerWaalsContact O-OG1 3.13Å; W466-T469 PolarHBondContact O-N 3.45Å; M467-T469 VanDerWaalsContact C-N 3.32Å; M467-T469 PolarHBondContact O-N 2.93Å
470L93.2Very high85.5Confident0 Ų055.5 Ų55.50%033%0.327CS..Hα-helixtrans-65.5-41.9178.1-70.7168.9000112.2I381 A384 M385 M388 W424 L427 C431 W466 M467I381-L470 HydrophobicContact CD1-CB 4.08Å; I381-L470 HydrophobicContact CD1-CD2 4.16Å; I381-L470 HydrophobicContact CG2-CD2 4.33Å; A384-L470 HydrophobicContact CB-CD2 3.88Å; M385-L470 HydrophobicContact CG-CD2 3.93Å; M388-L470 HydrophobicContact CE-CD2 3.54Å; M388-L470 HydrophobicContact CE-CG 3.81Å; W424-L470 HydrophobicContact CH2-CD1 4.3Å; W424-L470 HydrophobicContact CZ3-CD1 4.01Å; W424-L470 HydrophobicContact CZ3-CD2 4.26Å; L427-L470 HydrophobicContact CD2-CD1 4.13Å; L427-L470 HydrophobicContact CG-CD1 3.91Å; C431-L470 HydrophobicContact CB-CB 3.98Å; C431-L470 HydrophobicContact CB-CD1 4.21Å; W466-L470 VanDerWaalsContact O-CG 3.31Å; W466-L470 WeakPolarHBondContact O-CG 3.25Å; W466-L470 PolarHBondContact O-N 3.22Å; M467-L470 PolarHBondContact O-N 3.42Å; M467-L470 VanDerWaalsContact O-N 3.12Å
471L91.5Very high85.3Confident7 Ų759.2 Ų59.24%0.03735%0.345CS..Hα-helixtrans-79.2-36.3-175.3-67.3160.7000112C431 H435 M467 L473 L474 D482 V483 I505C431-L471 HydrophobicContact CB-CD2 3.92Å; C431-L471 HydrophobicContact CB-CG 4.09Å; C431-L471 WeakPolarHBondContact O-CD2 3.31Å; H435-L471 HydrophobicContact CB-CD2 3.94Å; M467-L471 HydrophobicContact CB-CD1 4.17Å; M467-L471 WeakPolarHBondContact O-CB 3.5Å; M467-L471 WeakPolarHBondContact O-CD1 3.49Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.38Å; M467-L471 PolarHBondContact O-N 3.25Å; L471-L473 VanDerWaalsContact C-N 3.26Å; L471-L473 PolarHBondContact O-N 3.46Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.24Å; L471-L474 PolarHBondContact O-N 3.21Å; L471-D482 HydrophobicContact CD1-CB 4.09Å; L471-V483 HydrophobicContact CD1-CG2 3.39Å; L471-I505 HydrophobicContact CD1-CD1 4.18Å
472C87.2Confident85.2Confident99 Ų9956.1 Ų56.167%0.66933%0.333SS*.Hα-helixtrans-54.9-39.7179.1-179.50000112.7S468 L474 G475S468-C472 WeakPolarHBondContact O-CB 3.32Å; S468-C472 PolarHBondContact O-N 3.4Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 2.68Å; C472-G475 PolarHBondContact O-N 3.17Å
473L82.1Confident85.3Confident65 Ų6552.6 Ų52.634%0.3432%0.318SS..THydrogen-bonded Turntrans-73.8-18.1178.8-63.5-166.2000114.2I380 A384 L471 G475I380-L473 VanDerWaalsContact CG2-C 3.49Å; I380-L473 HydrophobicContact CG2-CB 3.68Å; I380-L473 WeakPolarHBondContact CG2-O 3.39Å; A384-L473 HydrophobicContact CB-CD1 3.61Å; A384-L473 HydrophobicContact CB-CG 4.28Å; L471-L473 VanDerWaalsContact C-N 3.26Å; L471-L473 PolarHBondContact O-N 3.46Å; L473-G475 VanDerWaalsContact C-N 3.3Å
474L83.1Confident85.3Confident34 Ų3452.4 Ų52.418%0.17832%0.317CS..THydrogen-bonded Turntrans-77.6-18.5175.6-68.3172.2000112.3I380 I381 H435 L471 C472I380-L474 HydrophobicContact CB-CD2 4.03Å; I380-L474 HydrophobicContact CD1-CD2 4.35Å; I380-L474 HydrophobicContact CG2-CD2 3.8Å; I380-L474 HydrophobicContact CG2-CG 4.3Å; I381-L474 HydrophobicContact CD1-CD1 3.84Å; I381-L474 HydrophobicContact CD1-CD2 4.4Å; I381-L474 HydrophobicContact CD1-CG 4.15Å; I381-L474 HydrophobicContact CG1-CD1 4.32Å; I381-L474 HydrophobicContact CG1-CD2 4.19Å; I381-L474 HydrophobicContact CG1-CG 4.48Å; H435-L474 HydrophobicContact CB-CD1 3.85Å; L471-L474 HydrophobicContact CD2-CD1 4.33Å; L471-L474 WeakPolarHBondContact O-CB 3.24Å; L471-L474 PolarHBondContact O-N 3.21Å; C472-L474 VanDerWaalsContact C-N 3.3Å; C472-L474 PolarHBondContact O-N 2.68Å
475G72.3Confident85.3Confident37 Ų3750.9 Ų50.938%0.38131%0.312SS..  trans78.7170.2-173.700000112.2H435 C472 L473H435-G475 PolarHBondContact CE1-O 3.16Å; C472-G475 PolarHBondContact O-N 3.17Å; L473-G475 VanDerWaalsContact C-N 3.3Å
476S64.9Low85.3Confident74 Ų7442.1 Ų42.152%0.51728%0.279SS..  trans-127.9102.3174.6-174.30000109.1
477A59.3Low85.2Confident92 Ų9241.1 Ų41.176%0.7628%0.275SS*.  trans-96-17178.300000112.8
478S64.2Low84.9Confident25 Ų2544.2 Ų44.218%0.17529%0.292CS..SBendtrans-95.9-4.1-168.151.80000115.1Q439 F480Q439-S478 PolarHBondContact NE2-OG 3.26Å; Q439-S478 VanDerWaalsContact OE1-CB 3.27Å; S478-F480 WeakPolarHBondContact O-CD2 3.3Å; S478-F480 PolarHBondContact O-N 2.96Å
479G72.3Confident84.4Confident77 Ų7746.5 Ų46.579%0.79429%0.294SS*.SBendtrans61.13.2-17700000115
480F85.1Confident84.1Confident32 Ų3249.3 Ų49.314%0.1431%0.311CS..SBendtrans-91.9158.1176.9-62.4-48.9000111.2L438 D443 S478 D482 P502L438-F480 HydrophobicContact CD1-CB 3.91Å; L438-F480 HydrophobicContact CD1-CD2 3.94Å; L438-F480 HydrophobicContact CD1-CG 4.22Å; L438-F480 HydrophobicContact CD2-CB 4Å; L438-F480 HydrophobicContact CG-CB 4.15Å; L438-F480 HydrophobicContact CG-CD2 4.3Å; D443-F480 HydrophobicContact CB-CZ 4.38Å; D443-F480 WeakPolarHBondContact OD1-CZ 3.4Å; S478-F480 WeakPolarHBondContact O-CD2 3.3Å; S478-F480 PolarHBondContact O-N 2.96Å; F480-D482 PolarHBondContact O-N 3.33Å; F480-P502 HydrophobicContact CD1-CB 4.34Å; F480-P502 HydrophobicContact CD1-CG 4.42Å; F480-P502 HydrophobicContact CD2-CB 4.02Å; F480-P502 HydrophobicContact CD2-CG 4.41Å; F480-P502 HydrophobicContact CE1-CB 4.46Å; F480-P502 HydrophobicContact CE1-CG 4.07Å; F480-P502 HydrophobicContact CE2-CB 4.17Å; F480-P502 HydrophobicContact CE2-CG 4.07Å; F480-P502 HydrophobicContact CG-CB 4.16Å; F480-P502 HydrophobicContact CZ-CB 4.41Å; F480-P502 HydrophobicContact CZ-CG 3.92Å
481E90.6Very high83.8Confident78 Ų7853.4 Ų53.436%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-75.7120.9178.2-58.7-170.5-113.300110.6V484 R498 V503 G504E481-V484 HydrophobicContact CB-CG2 4.15Å; E481-R498 IonicContact OE1-CZ 3.29Å; E481-R498 IonicContact OE1-NE 3.19Å; E481-R498 PolarHBondContact OE1-NE 2.85Å; E481-R498 IonicContact OE1-NH2 3.39Å; E481-R498 IonicContact OE2-CZ 2.87Å; E481-R498 VanDerWaalsContact OE2-CZ 3.25Å; E481-R498 IonicContact OE2-NE 2.61Å; E481-R498 PolarHBondContact OE2-NE 3.13Å; E481-R498 VanDerWaalsContact OE2-NE 3.14Å; E481-R498 IonicContact OE2-NH2 3.14Å; E481-R498 PolarHBondContact OE2-NH2 3.28Å; E481-V503 WeakPolarHBondContact O-CA 3.47Å; E481-G504 PolarHBondContact O-N 3.46Å
482D91.3Very high83.6Confident34 Ų3454.4 Ų54.418%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-69.6-35177.7-68.4-66.6000112H435 L471 F480 G504 I505H435-D482 IonicContact ND1-OD1 2.68Å; H435-D482 PolarHBondContact ND1-OD1 3.36Å; L471-D482 HydrophobicContact CD1-CB 4.09Å; F480-D482 PolarHBondContact O-N 3.33Å; D482-G504 CarbonylContact O-C 3.57Å; D482-G504 VanDerWaalsContact O-CA 3.31Å; D482-G504 WeakPolarHBondContact O-CA 3.14Å; D482-I505 PolarHBondContact O-N 3.29Å
483V94.8Very high83.7Confident27 Ų2755.2 Ų55.216%0.16434%0.337CS..EExtended strand (participates in β ladder)trans-138.4127.7179.8-172.70000110.9M467 L471 T485 I505M467-V483 HydrophobicContact CB-CG2 4.24Å; M467-V483 HydrophobicContact SD-CG1 4.48Å; L471-V483 HydrophobicContact CD1-CG2 3.39Å; V483-T485 HydrophobicContact CG1-CG2 4.15Å; V483-I505 CarbonylContact C-O 3.55Å; V483-I505 WeakPolarHBondContact CA-O 3.35Å; V483-I505 HydrophobicContact CG2-CB 4.41Å; V483-I505 HydrophobicContact CG2-CD1 4.5Å
484V95.3Very high84.1Confident0 Ų054.6 Ų54.60%033%0.334CS..EExtended strand (participates in β ladder)trans-114.2124.1169172.70000108.3E481 I495 V503 I505 L506 L507E481-V484 HydrophobicContact CB-CG2 4.15Å; V484-I495 HydrophobicContact CG1-CD1 3.82Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.38Å; V484-V503 HydrophobicContact CG2-CG1 3.49Å; V484-V503 VanDerWaalsContact CG2-CG1 3.49Å; V484-V503 HydrophobicContact CG2-CG2 3.92Å; V484-I505 PolarHBondContact N-O 2.83Å; V484-L506 HydrophobicContact CG1-CD1 4.23Å; V484-L506 CarbonylContact O-C 3.49Å; V484-L506 WeakPolarHBondContact O-CA 3.19Å; V484-L507 PolarHBondContact O-N 3.05Å
485T96.1Very high84.6Confident26 Ų2653 Ų5316%0.1633%0.326CS..EExtended strand (participates in β ladder)trans-102.8139.2176.6580000111.5E464 V483 I495 L507E464-T485 VanDerWaalsContact CD-CG2 3.41Å; E464-T485 HydrophobicContact CG-CG2 3.99Å; E464-T485 VanDerWaalsContact OE1-CG2 3.25Å; E464-T485 WeakPolarHBondContact OE1-CG2 3.42Å; V483-T485 HydrophobicContact CG1-CG2 4.15Å; T485-I495 VanDerWaalsContact O-CD1 3.3Å; T485-I495 WeakPolarHBondContact O-CD1 3.48Å; T485-L507 CarbonylContact C-O 3.59Å; T485-L507 WeakPolarHBondContact CA-O 3.39Å; T485-L507 HydrophobicContact CG2-CB 4.19Å; T485-L507 HydrophobicContact CG2-CD2 4.06Å; T485-L507 HydrophobicContact CG2-CG 4.46Å
486H94.9Very high85.6Confident0 Ų052.6 Ų52.60%032%0.316CS..EExtended strand (participates in β ladder)trans-132108.4178.3177.8-143.2000109.9D488 I495 L506 L507 T508 L512H486-D488 PolarHBondContact CD2-O 3.07Å; H486-D488 PolarHBondContact NE2-O 2.89Å; H486-I495 HydrophobicContact CB-CD1 4.19Å; H486-I495 HydrophobicContact CB-CG1 4.08Å; H486-I495 HydrophobicContact CB-CG2 4.24Å; H486-L506 HydrophobicContact CB-CD1 4.32Å; H486-L507 PolarHBondContact N-O 3.21Å; H486-T508 PolarHBondContact O-OG1 2.72Å; H486-L512 WeakPolarHBondContact O-CD1 3.16Å
487W92.9Very high86.8Confident40 Ų4055.6 Ų55.615%0.15232%0.316CS..  trans-126.8-8.5-174.8-58.7119.9000114.6C454 Q457 G460 L507 L512C454-W487 WeakPolarHBondContact SG-CH2 3.29Å; Q457-W487 HydrophobicContact CB-CB 4.49Å; Q457-W487 HydrophobicContact CB-CD2 3.99Å; Q457-W487 HydrophobicContact CB-CE3 3.92Å; Q457-W487 HydrophobicContact CB-CG 4.25Å; Q457-W487 HydrophobicContact CG-CB 4.02Å; Q457-W487 HydrophobicContact CG-CD2 3.79Å; Q457-W487 HydrophobicContact CG-CE3 4.25Å; Q457-W487 HydrophobicContact CG-CG 3.66Å; G460-W487 VanDerWaalsContact CA-CZ2 3.47Å; W487-L507 HydrophobicContact CH2-CD1 4.28Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.43Å; W487-L507 HydrophobicContact CZ2-CD2 3.95Å; W487-L507 HydrophobicContact CZ2-CG 3.69Å; W487-L512 VanDerWaalsContact C-CD1 3.42Å; W487-L512 VanDerWaalsContact CA-CD1 3.44Å
488D87.4Confident88.4Confident65 Ų6553.9 Ų53.935%0.34829%0.29SS..  trans-134.8130.7-177.4-174.6-2.7000110.9H486 T490 Q491H486-D488 PolarHBondContact CD2-O 3.07Å; H486-D488 PolarHBondContact NE2-O 2.89Å; D488-T490 PolarHBondContact O-N 2.53Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.46Å; D488-T490 PolarHBondContact OD1-N 3.15Å; D488-T490 PolarHBondContact OD1-OG1 3.17Å; D488-T490 PolarHBondContact OD2-OG1 2.92Å; D488-Q491 HydrophobicContact CB-CG 4.08Å; D488-Q491 WeakPolarHBondContact O-CB 3.48Å; D488-Q491 PolarHBondContact O-N 3.35Å; D488-Q491 VanDerWaalsContact O-N 3.09Å
489K83.3Confident89.8Confident111 Ų11152.7 Ų52.748%0.48328%0.282SS..G310 helixtrans-61.6-28.9177-64.7-174.3177.5174.80112.5Q491 L492 D511 L512K489-Q491 PolarHBondContact O-N 2.88Å; K489-L492 WeakPolarHBondContact O-CB 3.45Å; K489-L492 PolarHBondContact O-N 3.38Å; K489-D511 WeakPolarHBondContact CE-OD2 3.44Å; K489-D511 IonicContact NZ-OD2 3.97Å; K489-D511 PolarHBondContact NZ-OD2 2.92Å; K489-L512 HydrophobicContact CB-CD2 4.43Å; K489-L512 HydrophobicContact CD-CD2 4.35Å; K489-L512 HydrophobicContact CG-CD2 3.4Å; K489-L512 VanDerWaalsContact CG-CD2 3.4Å
490T84.9Confident90.6Very high112 Ų11255 Ų5569%0.68727%0.27SS*.G310 helixtrans-66.5-23.9177.671.30000112.2D488 L492D488-T490 PolarHBondContact O-N 2.53Å; D488-T490 WeakPolarHBondContact OD1-CG2 3.46Å; D488-T490 PolarHBondContact OD1-N 3.15Å; D488-T490 PolarHBondContact OD1-OG1 3.17Å; D488-T490 PolarHBondContact OD2-OG1 2.92Å; T490-L492 VanDerWaalsContact C-N 3.31Å; T490-L492 PolarHBondContact O-N 2.93Å
491Q86.8Confident90.9Very high86 Ų8660.2 Ų60.240%0.40229%0.292SS..G310 helixtrans-87.12.7-177.8-62.2179.4-7.900113.4D488 K489 V493 D494 I495D488-Q491 HydrophobicContact CB-CG 4.08Å; D488-Q491 WeakPolarHBondContact O-CB 3.48Å; D488-Q491 PolarHBondContact O-N 3.35Å; D488-Q491 VanDerWaalsContact O-N 3.09Å; K489-Q491 PolarHBondContact O-N 2.88Å; Q491-V493 PolarHBondContact O-N 2.75Å; Q491-V493 VanDerWaalsContact O-N 3.1Å; Q491-D494 WeakPolarHBondContact O-CB 3.23Å; Q491-D494 PolarHBondContact O-N 3.48Å; Q491-I495 HydrophobicContact CB-CG1 4.38Å; Q491-I495 WeakPolarHBondContact O-CG1 3.47Å; Q491-I495 PolarHBondContact O-N 3.12Å
492L87Confident91Very high28 Ų2856.5 Ų56.515%0.14728%0.275CS..Hα-helixtrans-50.7-43.2-174.9-177.369.9000112.8K489 T490 D494 I495 V496 Q515 L516K489-L492 WeakPolarHBondContact O-CB 3.45Å; K489-L492 PolarHBondContact O-N 3.38Å; T490-L492 VanDerWaalsContact C-N 3.31Å; T490-L492 PolarHBondContact O-N 2.93Å; L492-D494 PolarHBondContact O-N 3.46Å; L492-I495 PolarHBondContact O-N 3.23Å; L492-V496 HydrophobicContact CD1-CG2 4.25Å; L492-V496 HydrophobicContact CG-CG2 4.31Å; L492-V496 WeakPolarHBondContact O-CB 3.43Å; L492-V496 VanDerWaalsContact O-CG2 3.22Å; L492-V496 WeakPolarHBondContact O-CG2 3.32Å; L492-V496 PolarHBondContact O-N 2.97Å; L492-Q515 HydrophobicContact CD1-CG 4.27Å; L492-Q515 HydrophobicContact CD2-CG 4.28Å; L492-L516 HydrophobicContact CD1-CD2 3.57Å; L492-L516 HydrophobicContact CD1-CG 4.21Å
493V88.4Confident91.1Very high117 Ų11755 Ų5571%0.70927%0.267SS*.Hα-helixtrans-65.1-40.3-179.2-179.50000111.7Q491 R497Q491-V493 PolarHBondContact O-N 2.75Å; Q491-V493 VanDerWaalsContact O-N 3.1Å; V493-R497 WeakPolarHBondContact O-CB 3.23Å; V493-R497 PolarHBondContact O-N 3.26Å
494D91.9Very high91.1Very high51 Ų5153.7 Ų53.727%0.27326%0.259SS..Hα-helixtrans-64.6-47.9175.7173.869.2000111.2Q491 L492 V496 R497 R498Q491-D494 WeakPolarHBondContact O-CB 3.23Å; Q491-D494 PolarHBondContact O-N 3.48Å; L492-D494 PolarHBondContact O-N 3.46Å; D494-V496 PolarHBondContact O-N 2.81Å; D494-R497 WeakPolarHBondContact O-CB 3.48Å; D494-R497 PolarHBondContact O-N 3.04Å; D494-R497 VanDerWaalsContact O-N 3.15Å; D494-R497 IonicContact OD1-CZ 2.67Å; D494-R497 IonicContact OD1-NH1 3.93Å; D494-R497 PolarHBondContact OD1-NH1 2.69Å; D494-R497 IonicContact OD1-NH2 3.94Å; D494-R497 PolarHBondContact OD1-NH2 3.27Å; D494-R498 WeakPolarHBondContact O-CG 3.41Å; D494-R498 PolarHBondContact O-N 3.15Å; D494-R498 WeakPolarHBondContact OD2-CD 3.42Å; D494-R498 IonicContact OD2-NH1 3.46Å
495I93.4Very high91.2Very high0 Ų053.7 Ų53.70%026%0.259CS..Hα-helixtrans-62.5-45.8179.7-62.1-59.5000110.9V484 T485 H486 Q491 L492 R497 R498 L499 L516V484-I495 HydrophobicContact CG1-CD1 3.82Å; T485-I495 VanDerWaalsContact O-CD1 3.3Å; T485-I495 WeakPolarHBondContact O-CD1 3.48Å; H486-I495 HydrophobicContact CB-CD1 4.19Å; H486-I495 HydrophobicContact CB-CG1 4.08Å; H486-I495 HydrophobicContact CB-CG2 4.24Å; Q491-I495 HydrophobicContact CB-CG1 4.38Å; Q491-I495 WeakPolarHBondContact O-CG1 3.47Å; Q491-I495 PolarHBondContact O-N 3.12Å; L492-I495 PolarHBondContact O-N 3.23Å; I495-R497 VanDerWaalsContact C-N 3.28Å; I495-R497 PolarHBondContact O-N 3.17Å; I495-R498 PolarHBondContact O-N 2.77Å; I495-R498 VanDerWaalsContact O-N 3.14Å; I495-L499 HydrophobicContact CG2-CD1 3.91Å; I495-L499 HydrophobicContact CG2-CG 4.22Å; I495-L499 WeakPolarHBondContact O-CB 3.43Å; I495-L499 VanDerWaalsContact O-CG 3.3Å; I495-L499 WeakPolarHBondContact O-CG 3.5Å; I495-L499 PolarHBondContact O-N 3.13Å; I495-L516 HydrophobicContact CG2-CD1 4.27Å; I495-L516 HydrophobicContact CG2-CD2 4.2Å
496V91.9Very high91.3Very high30 Ų3052.4 Ų52.418%0.18225%0.251CS..Hα-helixtrans-58.5-41.4175.6167.10000111.1L492 D494 L499 K500 L516 I525L492-V496 HydrophobicContact CD1-CG2 4.25Å; L492-V496 HydrophobicContact CG-CG2 4.31Å; L492-V496 WeakPolarHBondContact O-CB 3.43Å; L492-V496 VanDerWaalsContact O-CG2 3.22Å; L492-V496 WeakPolarHBondContact O-CG2 3.32Å; L492-V496 PolarHBondContact O-N 2.97Å; D494-V496 PolarHBondContact O-N 2.81Å; V496-L499 PolarHBondContact O-N 3.3Å; V496-K500 WeakPolarHBondContact O-CG 3.48Å; V496-K500 PolarHBondContact O-N 3.02Å; V496-L516 HydrophobicContact CG2-CD2 4Å; V496-I525 HydrophobicContact CB-CG2 4.47Å; V496-I525 HydrophobicContact CG1-CG1 4.11Å; V496-I525 HydrophobicContact CG1-CG2 4.28Å; V496-I525 HydrophobicContact CG2-CD1 3.88Å; V496-I525 HydrophobicContact CG2-CG1 4.32Å; V496-I525 HydrophobicContact CG2-CG2 4.17Å
497R91Very high91.4Very high137 Ų13752.4 Ų52.452%0.51725%0.251SS..Hα-helixtrans-64-42.1175.7170.1175.439.559.2-3.5112.1V493 D494 I495 K500V493-R497 WeakPolarHBondContact O-CB 3.23Å; V493-R497 PolarHBondContact O-N 3.26Å; D494-R497 WeakPolarHBondContact O-CB 3.48Å; D494-R497 PolarHBondContact O-N 3.04Å; D494-R497 VanDerWaalsContact O-N 3.15Å; D494-R497 IonicContact OD1-CZ 2.67Å; D494-R497 IonicContact OD1-NH1 3.93Å; D494-R497 PolarHBondContact OD1-NH1 2.69Å; D494-R497 IonicContact OD1-NH2 3.94Å; D494-R497 PolarHBondContact OD1-NH2 3.27Å; I495-R497 VanDerWaalsContact C-N 3.28Å; I495-R497 PolarHBondContact O-N 3.17Å; R497-K500 WeakPolarHBondContact O-CB 3.38Å; R497-K500 PolarHBondContact O-N 2.81Å
498R92.9Very high91.7Very high56 Ų5650.5 Ų50.521%0.21124%0.244CC..Hα-helixtrans-65.3-41.3177.5-70.3168.470.7-169.51.5111.6E481 D494 I495 K500 K501E481-R498 IonicContact OE1-CZ 3.29Å; E481-R498 IonicContact OE1-NE 3.19Å; E481-R498 PolarHBondContact OE1-NE 2.85Å; E481-R498 IonicContact OE1-NH2 3.39Å; E481-R498 IonicContact OE2-CZ 2.87Å; E481-R498 VanDerWaalsContact OE2-CZ 3.25Å; E481-R498 IonicContact OE2-NE 2.61Å; E481-R498 PolarHBondContact OE2-NE 3.13Å; E481-R498 VanDerWaalsContact OE2-NE 3.14Å; E481-R498 IonicContact OE2-NH2 3.14Å; E481-R498 PolarHBondContact OE2-NH2 3.28Å; D494-R498 WeakPolarHBondContact O-CG 3.41Å; D494-R498 PolarHBondContact O-N 3.15Å; D494-R498 WeakPolarHBondContact OD2-CD 3.42Å; D494-R498 IonicContact OD2-NH1 3.46Å; I495-R498 PolarHBondContact O-N 2.77Å; I495-R498 VanDerWaalsContact O-N 3.14Å; R498-K500 PolarHBondContact O-N 3.02Å; R498-K501 PolarHBondContact O-N 3.37Å
499L93.2Very high92Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-70.6-10.7177.5-64.4-178.2000114.3G447 I495 V496 K501 V503 L506 L516 I525 F526G447-L499 WeakPolarHBondContact CA-O 3.49Å; G447-L499 PolarHBondContact N-O 2.98Å; I495-L499 HydrophobicContact CG2-CD1 3.91Å; I495-L499 HydrophobicContact CG2-CG 4.22Å; I495-L499 WeakPolarHBondContact O-CB 3.43Å; I495-L499 VanDerWaalsContact O-CG 3.3Å; I495-L499 WeakPolarHBondContact O-CG 3.5Å; I495-L499 PolarHBondContact O-N 3.13Å; V496-L499 PolarHBondContact O-N 3.3Å; L499-K501 PolarHBondContact O-N 3Å; L499-V503 HydrophobicContact CD2-CB 4.43Å; L499-V503 HydrophobicContact CD2-CG2 4.21Å; L499-L506 HydrophobicContact CD1-CD2 4.19Å; L499-L516 HydrophobicContact CD1-CD1 4.35Å; L499-L516 HydrophobicContact CD1-CD2 4.43Å; L499-I525 CarbonylContact C-O 3.48Å; L499-I525 HydrophobicContact CB-CG2 3.97Å; L499-I525 HydrophobicContact CD1-CG2 4.13Å; L499-F526 HydrophobicContact CD1-CD1 4.35Å
500K90.1Very high92.6Very high126 Ų12642.9 Ų42.955%0.54821%0.209SC..THydrogen-bonded Turntrans-68.7-11170.2-75.8178.3179.9-176.60113.5R446 V496 R497 R498R446-K500 WeakPolarHBondContact CG-O 3.46Å; V496-K500 WeakPolarHBondContact O-CG 3.48Å; V496-K500 PolarHBondContact O-N 3.02Å; R497-K500 WeakPolarHBondContact O-CB 3.38Å; R497-K500 PolarHBondContact O-N 2.81Å; R498-K500 PolarHBondContact O-N 3.02Å
501K90.8Very high92.9Very high140 Ų14039.2 Ų39.261%0.60919%0.186SC*.SBendtrans-109.2164.5171.8-65.1-175.6179.2-176.30110.4G447 R498 L499 V503G447-K501 WeakPolarHBondContact CA-O 3.12Å; G447-K501 PolarHBondContact N-O 2.91Å; R498-K501 PolarHBondContact O-N 3.37Å; L499-K501 PolarHBondContact O-N 3Å; K501-V503 PolarHBondContact O-N 3.17Å
502P93Very high93.3Very high1 Ų135.3 Ų35.31%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-59135.4170-21.634.4000111L438 R441 P442 G445 F480L438-P502 HydrophobicContact CD1-CB 3.81Å; R441-P502 HydrophobicContact CB-CB 4.24Å; P442-P502 WeakPolarHBondContact O-CG 3.39Å; G445-P502 WeakPolarHBondContact O-CD 3.45Å; G445-P502 WeakPolarHBondContact O-CG 3.32Å; F480-P502 HydrophobicContact CD1-CB 4.34Å; F480-P502 HydrophobicContact CD1-CG 4.42Å; F480-P502 HydrophobicContact CD2-CB 4.02Å; F480-P502 HydrophobicContact CD2-CG 4.41Å; F480-P502 HydrophobicContact CE1-CB 4.46Å; F480-P502 HydrophobicContact CE1-CG 4.07Å; F480-P502 HydrophobicContact CE2-CB 4.17Å; F480-P502 HydrophobicContact CE2-CG 4.07Å; F480-P502 HydrophobicContact CG-CB 4.16Å; F480-P502 HydrophobicContact CZ-CB 4.41Å; F480-P502 HydrophobicContact CZ-CG 3.92Å
503V94.1Very high93.7Very high1 Ų134 Ų341%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-134.1146.1177.6170.80000108.5G447 P448 T449 E481 V484 L499 K501G447-V503 PolarHBondContact O-N 2.84Å; P448-V503 CarbonylContact C-O 3.57Å; P448-V503 VanDerWaalsContact CA-O 3.23Å; P448-V503 WeakPolarHBondContact CA-O 3.49Å; T449-V503 PolarHBondContact N-O 3.2Å; E481-V503 WeakPolarHBondContact O-CA 3.47Å; V484-V503 HydrophobicContact CB-CG1 4.01Å; V484-V503 HydrophobicContact CG2-CB 4.38Å; V484-V503 HydrophobicContact CG2-CG1 3.49Å; V484-V503 VanDerWaalsContact CG2-CG1 3.49Å; V484-V503 HydrophobicContact CG2-CG2 3.92Å; L499-V503 HydrophobicContact CD2-CB 4.43Å; L499-V503 HydrophobicContact CD2-CG2 4.21Å; K501-V503 PolarHBondContact O-N 3.17Å
504G94.4Very high93.9Very high0 Ų029 Ų290%013%0.13CC..EExtended strand (participates in β ladder)trans-67.1-73.3175.100000111.8S434 T449 C450 E481 D482S434-G504 WeakPolarHBondContact OG-CA 3.49Å; S434-G504 PolarHBondContact OG-O 3.14Å; T449-G504 CarbonylContact C-O 3.59Å; T449-G504 WeakPolarHBondContact CA-O 3.08Å; T449-G504 WeakPolarHBondContact CB-O 3.48Å; T449-G504 PolarHBondContact N-O 2.83Å; C450-G504 PolarHBondContact N-O 3.09Å; E481-G504 PolarHBondContact O-N 3.46Å; D482-G504 CarbonylContact O-C 3.57Å; D482-G504 VanDerWaalsContact O-CA 3.31Å; D482-G504 WeakPolarHBondContact O-CA 3.14Å
505I97.3Very high93.8Very high0 Ų028.9 Ų28.90%013%0.128CC..EExtended strand (participates in β ladder)trans-123.6129.3-172.9-50.5179.5000110.1V430 S434 C450 F452 M467 L471 D482 V483 V484V430-I505 HydrophobicContact CG1-CD1 4.2Å; S434-I505 WeakPolarHBondContact OG-CG1 3.45Å; C450-I505 HydrophobicContact CB-CG1 4.22Å; C450-I505 HydrophobicContact CB-CG2 4.41Å; C450-I505 CarbonylContact O-C 3.58Å; C450-I505 WeakPolarHBondContact O-CA 3.29Å; F452-I505 HydrophobicContact CB-CG2 4.11Å; M467-I505 HydrophobicContact CE-CD1 4.21Å; M467-I505 HydrophobicContact CE-CG2 4.02Å; M467-I505 HydrophobicContact CG-CD1 4.45Å; M467-I505 HydrophobicContact SD-CD1 4.03Å; M467-I505 HydrophobicContact SD-CG2 4.12Å; L471-I505 HydrophobicContact CD1-CD1 4.18Å; D482-I505 PolarHBondContact O-N 3.29Å; V483-I505 CarbonylContact C-O 3.55Å; V483-I505 WeakPolarHBondContact CA-O 3.35Å; V483-I505 HydrophobicContact CG2-CB 4.41Å; V483-I505 HydrophobicContact CG2-CD1 4.5Å; V484-I505 PolarHBondContact N-O 2.83Å
506L97.6Very high93.7Very high0 Ų028.9 Ų28.90%013%0.128CC..EExtended strand (participates in β ladder)trans-95.3115.4162.8172.964000109.1P448 C450 I451 F452 V484 H486 L499 T508 L516P448-L506 HydrophobicContact CB-CB 3.82Å; P448-L506 HydrophobicContact CG-CB 3.98Å; P448-L506 HydrophobicContact CG-CD2 4.45Å; C450-L506 PolarHBondContact O-N 2.96Å; I451-L506 CarbonylContact C-O 3.54Å; F452-L506 PolarHBondContact N-O 2.89Å; V484-L506 HydrophobicContact CG1-CD1 4.23Å; V484-L506 CarbonylContact O-C 3.49Å; V484-L506 WeakPolarHBondContact O-CA 3.19Å; H486-L506 HydrophobicContact CB-CD1 4.32Å; L499-L506 HydrophobicContact CD1-CD2 4.19Å; L506-T508 HydrophobicContact CG-CG2 4.36Å; L506-L516 HydrophobicContact CD2-CD1 3.96Å
507L98.1Very high93.6Very high0 Ų027.5 Ų27.50%012%0.119CC..EExtended strand (participates in β ladder)trans-106.8120.9176.517466000110.5F452 G460 I463 E464 M467 V484 T485 H486 W487F452-L507 HydrophobicContact CB-CD1 3.85Å; F452-L507 HydrophobicContact CD1-CD1 3.6Å; F452-L507 HydrophobicContact CG-CD1 4Å; F452-L507 WeakPolarHBondContact O-CA 3.46Å; G460-L507 WeakPolarHBondContact O-CD2 3.18Å; I463-L507 HydrophobicContact CG2-CD1 4.38Å; I463-L507 HydrophobicContact CG2-CD2 4.46Å; E464-L507 HydrophobicContact CB-CD2 3.85Å; M467-L507 HydrophobicContact SD-CD2 4.38Å; V484-L507 PolarHBondContact O-N 3.05Å; T485-L507 CarbonylContact C-O 3.59Å; T485-L507 WeakPolarHBondContact CA-O 3.39Å; T485-L507 HydrophobicContact CG2-CB 4.19Å; T485-L507 HydrophobicContact CG2-CD2 4.06Å; T485-L507 HydrophobicContact CG2-CG 4.46Å; H486-L507 PolarHBondContact N-O 3.21Å; W487-L507 HydrophobicContact CH2-CD1 4.28Å; W487-L507 HydrophobicContact CH2-CG 3.97Å; W487-L507 HydrophobicContact CZ2-CD1 4.43Å; W487-L507 HydrophobicContact CZ2-CD2 3.95Å; W487-L507 HydrophobicContact CZ2-CG 3.69Å
508T97.3Very high93.4Very high0 Ų025.5 Ų25.50%012%0.119CC..EExtended strand (participates in β ladder)trans-156.6-177.4-170.6-165.10000113.5F452 V453 C454 H486 L506 L512 L513F452-T508 PolarHBondContact O-N 3.18Å; V453-T508 WeakPolarHBondContact CA-O 3.26Å; C454-T508 PolarHBondContact N-O 3.04Å; H486-T508 PolarHBondContact O-OG1 2.72Å; L506-T508 HydrophobicContact CG-CG2 4.36Å; T508-L512 WeakPolarHBondContact OG1-CB 3.37Å; T508-L513 HydrophobicContact CG2-CB 3.84Å
509S95.5Very high92.9Very high12 Ų1227.9 Ų27.98%0.08413%0.132CC..  trans-103.4169.1172.162.60000112.2D511 L512 L513S509-D511 PolarHBondContact OG-OD1 2.97Å; S509-L512 PolarHBondContact O-N 2.78Å; S509-L512 WeakPolarHBondContact OG-CD1 3.48Å; S509-L512 VanDerWaalsContact OG-CG 3.28Å; S509-L512 WeakPolarHBondContact OG-CG 3.23Å; S509-L513 WeakPolarHBondContact O-CB 3.15Å; S509-L513 PolarHBondContact O-N 3.27Å
510V94.5Very high92.3Very high3 Ų328.3 Ų28.32%0.01813%0.134CC..Hα-helixtrans-58.2-50.6-177.3171.60000113V453 L512 L513 L514 M542 L546 D549 L553V453-V510 HydrophobicContact CG1-CG2 3.82Å; V510-L512 VanDerWaalsContact C-N 3.34Å; V510-L512 PolarHBondContact O-N 2.85Å; V510-L513 PolarHBondContact O-N 3.39Å; V510-L514 HydrophobicContact CG1-CD1 4.48Å; V510-L514 WeakPolarHBondContact O-CB 3.35Å; V510-L514 PolarHBondContact O-N 3.05Å; V510-M542 HydrophobicContact CG2-CB 3.94Å; V510-M542 HydrophobicContact CG2-CG 3.97Å; V510-M542 HydrophobicContact CG2-SD 3.59Å; V510-M542 VanDerWaalsContact CG2-SD 3.59Å; V510-L546 HydrophobicContact CB-CD1 4.33Å; V510-D549 HydrophobicContact CG1-CB 4.05Å; V510-L553 HydrophobicContact CB-CD2 4.38Å; V510-L553 HydrophobicContact CG1-CB 4.22Å; V510-L553 HydrophobicContact CG1-CD2 4.01Å; V510-L553 HydrophobicContact CG2-CD2 4.19Å
511D92Very high91.1Very high35 Ų3527.6 Ų27.619%0.18714%0.143CC..Hα-helixtrans-66.2-38.8-176.163.8-45.4000112K489 S509 L514 Q515 L546K489-D511 WeakPolarHBondContact CE-OD2 3.44Å; K489-D511 IonicContact NZ-OD2 3.97Å; K489-D511 PolarHBondContact NZ-OD2 2.92Å; S509-D511 PolarHBondContact OG-OD1 2.97Å; D511-L514 PolarHBondContact O-N 2.65Å; D511-Q515 WeakPolarHBondContact O-CB 3.32Å; D511-Q515 PolarHBondContact O-N 2.67Å; D511-L546 HydrophobicContact CB-CD1 3.85Å
512L94.4Very high90Very high4 Ų427.1 Ų27.12%0.02115%0.151CC..Hα-helixtrans-71.1-38.5178.6-69-175.1000112.4H486 W487 K489 T508 S509 V510 Q515 L516H486-L512 WeakPolarHBondContact O-CD1 3.16Å; W487-L512 VanDerWaalsContact C-CD1 3.42Å; W487-L512 VanDerWaalsContact CA-CD1 3.44Å; K489-L512 HydrophobicContact CB-CD2 4.43Å; K489-L512 HydrophobicContact CD-CD2 4.35Å; K489-L512 HydrophobicContact CG-CD2 3.4Å; K489-L512 VanDerWaalsContact CG-CD2 3.4Å; T508-L512 WeakPolarHBondContact OG1-CB 3.37Å; S509-L512 PolarHBondContact O-N 2.78Å; S509-L512 WeakPolarHBondContact OG-CD1 3.48Å; S509-L512 VanDerWaalsContact OG-CG 3.28Å; S509-L512 WeakPolarHBondContact OG-CG 3.23Å; V510-L512 VanDerWaalsContact C-N 3.34Å; V510-L512 PolarHBondContact O-N 2.85Å; L512-Q515 PolarHBondContact O-N 3.03Å; L512-L516 WeakPolarHBondContact O-CG 3.43Å; L512-L516 PolarHBondContact O-N 2.97Å; L512-L516 VanDerWaalsContact O-N 3.1Å
513L95Very high88.9Confident0 Ų028.5 Ų28.50%017%0.166CC..Hα-helixtrans-63.9-48.1171.3179.857.3000110.7I451 V453 T508 S509 V510 Q515 L516 L517 L553I451-L513 HydrophobicContact CD1-CD1 4.44Å; I451-L513 HydrophobicContact CG2-CD1 4.12Å; I451-L513 HydrophobicContact CG2-CD2 3.91Å; V453-L513 HydrophobicContact CG2-CD2 3.53Å; T508-L513 HydrophobicContact CG2-CB 3.84Å; S509-L513 WeakPolarHBondContact O-CB 3.15Å; S509-L513 PolarHBondContact O-N 3.27Å; V510-L513 PolarHBondContact O-N 3.39Å; L513-Q515 VanDerWaalsContact C-N 3.25Å; L513-Q515 PolarHBondContact O-N 2.95Å; L513-L516 WeakPolarHBondContact O-CA 3.49Å; L513-L516 WeakPolarHBondContact O-CB 3.48Å; L513-L516 PolarHBondContact O-N 3.34Å; L513-L517 HydrophobicContact CD1-CD1 4.46Å; L513-L517 HydrophobicContact CD1-CD2 4.12Å; L513-L517 HydrophobicContact CD1-CG 4.08Å; L513-L517 HydrophobicContact CG-CD1 4.14Å; L513-L517 HydrophobicContact CG-CG 4.19Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 3.32Å; L513-L553 HydrophobicContact CD2-CD1 3.73Å; L513-L553 HydrophobicContact CD2-CD2 4.1Å; L513-L553 HydrophobicContact CG-CD1 4.03Å
514L92.6Very high88.1Confident13 Ų1331.1 Ų31.17%0.06818%0.184CC..Hα-helixtrans-56.8-40.7177.1-88.3178.5000112.6V510 D511 L517 N518 D549 K552 L553 R556V510-L514 HydrophobicContact CG1-CD1 4.48Å; V510-L514 WeakPolarHBondContact O-CB 3.35Å; V510-L514 PolarHBondContact O-N 3.05Å; D511-L514 PolarHBondContact O-N 2.65Å; L514-L517 PolarHBondContact O-N 3.37Å; L514-N518 WeakPolarHBondContact O-CB 3.33Å; L514-N518 PolarHBondContact O-N 2.99Å; L514-N518 PolarHBondContact O-ND2 2.74Å; L514-D549 HydrophobicContact CD1-CB 3.78Å; L514-D549 WeakPolarHBondContact CD1-O 3.47Å; L514-K552 HydrophobicContact CD1-CB 4.03Å; L514-K552 HydrophobicContact CD2-CB 4.46Å; L514-L553 HydrophobicContact CD1-CB 4.23Å; L514-L553 HydrophobicContact CD2-CB 4.05Å; L514-L553 HydrophobicContact CD2-CD1 4.15Å; L514-L553 HydrophobicContact CG-CB 3.96Å; L514-L553 HydrophobicContact CG-CD1 4.25Å; L514-R556 HydrophobicContact CD2-CG 4.38Å
515Q90.8Very high87.6Confident48 Ų4831.4 Ų31.422%0.22419%0.186CC..Hα-helixtrans-58.9-47.4174.1-172.9174.19.600111.1L492 D511 L512 L513 L517 N518 H519L492-Q515 HydrophobicContact CD1-CG 4.27Å; L492-Q515 HydrophobicContact CD2-CG 4.28Å; D511-Q515 WeakPolarHBondContact O-CB 3.32Å; D511-Q515 PolarHBondContact O-N 2.67Å; L512-Q515 PolarHBondContact O-N 3.03Å; L513-Q515 VanDerWaalsContact C-N 3.25Å; L513-Q515 PolarHBondContact O-N 2.95Å; Q515-L517 PolarHBondContact O-N 3.47Å; Q515-N518 PolarHBondContact O-N 3.3Å; Q515-H519 PolarHBondContact O-CD2 3.05Å; Q515-H519 PolarHBondContact O-N 2.86Å; Q515-H519 VanDerWaalsContact O-N 3.16Å
516L91.4Very high87.1Confident0 Ų031.4 Ų31.40%019%0.186CC..Hα-helixtrans-60.8-43.6175.7-72.1169.2000112.5L492 I495 V496 L499 L506 L512 L513 N518 H519 N520L492-L516 HydrophobicContact CD1-CD2 3.57Å; L492-L516 HydrophobicContact CD1-CG 4.21Å; I495-L516 HydrophobicContact CG2-CD1 4.27Å; I495-L516 HydrophobicContact CG2-CD2 4.2Å; V496-L516 HydrophobicContact CG2-CD2 4Å; L499-L516 HydrophobicContact CD1-CD1 4.35Å; L499-L516 HydrophobicContact CD1-CD2 4.43Å; L506-L516 HydrophobicContact CD2-CD1 3.96Å; L512-L516 WeakPolarHBondContact O-CG 3.43Å; L512-L516 PolarHBondContact O-N 2.97Å; L512-L516 VanDerWaalsContact O-N 3.1Å; L513-L516 WeakPolarHBondContact O-CA 3.49Å; L513-L516 WeakPolarHBondContact O-CB 3.48Å; L513-L516 PolarHBondContact O-N 3.34Å; L516-N518 PolarHBondContact O-N 2.86Å; L516-H519 PolarHBondContact O-N 2.87Å; L516-N520 WeakPolarHBondContact O-CB 3.04Å; L516-N520 PolarHBondContact O-N 3.01Å
517L89.2Confident86.7Confident1 Ų135 Ų351%0.00521%0.205CC..Hα-helixtrans-64.5-39.6179.3-63.2-177.7000111.9L513 L514 Q515 H519 N520 F526 L553 M560 F561L513-L517 HydrophobicContact CD1-CD1 4.46Å; L513-L517 HydrophobicContact CD1-CD2 4.12Å; L513-L517 HydrophobicContact CD1-CG 4.08Å; L513-L517 HydrophobicContact CG-CD1 4.14Å; L513-L517 HydrophobicContact CG-CG 4.19Å; L513-L517 WeakPolarHBondContact O-CG 3.41Å; L513-L517 PolarHBondContact O-N 3.32Å; L514-L517 PolarHBondContact O-N 3.37Å; Q515-L517 PolarHBondContact O-N 3.47Å; L517-H519 VanDerWaalsContact C-N 3.3Å; L517-H519 PolarHBondContact O-N 3.26Å; L517-N520 PolarHBondContact O-N 3.38Å; L517-N520 VanDerWaalsContact O-N 3.12Å; L517-F526 HydrophobicContact CD2-CE1 4.42Å; L517-F526 HydrophobicContact CD2-CZ 3.72Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; L517-M560 HydrophobicContact CB-CE 4.36Å; L517-M560 HydrophobicContact CB-SD 3.81Å; L517-M560 HydrophobicContact CD1-SD 4.07Å; L517-M560 HydrophobicContact CD2-CE 3.67Å; L517-M560 HydrophobicContact CD2-SD 3.67Å; L517-M560 HydrophobicContact CG-SD 4.03Å; L517-F561 HydrophobicContact CD2-CE2 4.39Å; L517-F561 HydrophobicContact CD2-CZ 4.27Å
518N86.5Confident86.2Confident95 Ų9535.9 Ų35.951%0.50821%0.213SC..Hα-helixtrans-68.6-29.1178.2-70.1-20.6000112.9L514 Q515 L516 N520 R556L514-N518 WeakPolarHBondContact O-CB 3.33Å; L514-N518 PolarHBondContact O-N 2.99Å; L514-N518 PolarHBondContact O-ND2 2.74Å; Q515-N518 PolarHBondContact O-N 3.3Å; L516-N518 PolarHBondContact O-N 2.86Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N518-R556 PolarHBondContact OD1-NH2 3.27Å; N518-R556 VanDerWaalsContact OD1-NH2 3.13Å
519H83.9Confident85.8Confident107 Ų10740 Ų4050%0.49523%0.232SC..THydrogen-bonded Turntrans-85.96.7173-70.2-67.6000113.7Q515 L516 L517 P521 I525Q515-H519 PolarHBondContact O-CD2 3.05Å; Q515-H519 PolarHBondContact O-N 2.86Å; Q515-H519 VanDerWaalsContact O-N 3.16Å; L516-H519 PolarHBondContact O-N 2.87Å; L517-H519 VanDerWaalsContact C-N 3.3Å; L517-H519 PolarHBondContact O-N 3.26Å; H519-P521 VanDerWaalsContact O-CD 3.25Å; H519-P521 WeakPolarHBondContact O-CD 3.33Å; H519-I525 VanDerWaalsContact C-CD1 3.48Å; H519-I525 HydrophobicContact CB-CD1 3.72Å; H519-I525 WeakPolarHBondContact O-CD1 3.49Å
520N79.2Confident85.5Confident8 Ų840 Ų404%0.04323%0.233CC..  trans-114.450.5-179-162.431.6000114.8L516 L517 N518 V522 G523 S524 I525 F526L516-N520 WeakPolarHBondContact O-CB 3.04Å; L516-N520 PolarHBondContact O-N 3.01Å; L517-N520 PolarHBondContact O-N 3.38Å; L517-N520 VanDerWaalsContact O-N 3.12Å; N518-N520 VanDerWaalsContact C-N 3.28Å; N520-V522 VanDerWaalsContact C-N 3.28Å; N520-V522 PolarHBondContact O-N 3.03Å; N520-G523 WeakPolarHBondContact OD1-CA 3.45Å; N520-G523 PolarHBondContact OD1-N 2.93Å; N520-S524 PolarHBondContact OD1-N 3.22Å; N520-I525 HydrophobicContact CB-CB 4.32Å; N520-I525 HydrophobicContact CB-CD1 4.13Å; N520-I525 HydrophobicContact CB-CG1 4.34Å; N520-I525 PolarHBondContact OD1-N 3.06Å; N520-F526 PolarHBondContact ND2-O 3.35Å
521P66.4Low85.5Confident111 Ų11140 Ų4072%0.72123%0.233SC*.THydrogen-bonded Turntrans-67.7-18.5-172.226.3-33.8000115.3H519H519-P521 VanDerWaalsContact O-CD 3.25Å; H519-P521 WeakPolarHBondContact O-CD 3.33Å
522V65.9Low85.6Confident130 Ų13042.2 Ų42.279%0.78824%0.24SC*.THydrogen-bonded Turntrans-133.126.1-178-157.50000112.2N520 S524N520-V522 VanDerWaalsContact C-N 3.28Å; N520-V522 PolarHBondContact O-N 3.03Å; V522-S524 PolarHBondContact O-N 3.13Å
523G71Confident85.6Confident31 Ų3142.3 Ų42.332%0.3224%0.242SC..SBendtrans64.422.2-172.100000113.3N520 I525 F526N520-G523 WeakPolarHBondContact OD1-CA 3.45Å; N520-G523 PolarHBondContact OD1-N 2.93Å; G523-I525 VanDerWaalsContact C-N 3.28Å; G523-I525 PolarHBondContact O-N 3.46Å; G523-F526 WeakPolarHBondContact CA-O 3.09Å
524S77Confident85.7Confident55 Ų5542.4 Ų42.439%0.38524%0.242SC..SBendtrans-64.6-30.1-177.649.80000113.4N520 V522N520-S524 PolarHBondContact OD1-N 3.22Å; V522-S524 PolarHBondContact O-N 3.13Å
525I83.3Confident86Confident6 Ų641.8 Ų41.83%0.03124%0.239CC..SBendtrans-91.5-52.2177.3-56.9175.5000109.6V496 L499 H519 N520 G523V496-I525 HydrophobicContact CB-CG2 4.47Å; V496-I525 HydrophobicContact CG1-CG1 4.11Å; V496-I525 HydrophobicContact CG1-CG2 4.28Å; V496-I525 HydrophobicContact CG2-CD1 3.88Å; V496-I525 HydrophobicContact CG2-CG1 4.32Å; V496-I525 HydrophobicContact CG2-CG2 4.17Å; L499-I525 CarbonylContact C-O 3.48Å; L499-I525 HydrophobicContact CB-CG2 3.97Å; L499-I525 HydrophobicContact CD1-CG2 4.13Å; H519-I525 VanDerWaalsContact C-CD1 3.48Å; H519-I525 HydrophobicContact CB-CD1 3.72Å; H519-I525 WeakPolarHBondContact O-CD1 3.49Å; N520-I525 HydrophobicContact CB-CB 4.32Å; N520-I525 HydrophobicContact CB-CD1 4.13Å; N520-I525 HydrophobicContact CB-CG1 4.34Å; N520-I525 PolarHBondContact OD1-N 3.06Å; G523-I525 VanDerWaalsContact C-N 3.28Å; G523-I525 PolarHBondContact O-N 3.46Å
526F86.9Confident86.3Confident0 Ų039.6 Ų39.60%023%0.228CC..  trans-150.4154.3176.463.8-94.2000112.8I451 L499 L517 N520 G523 V531 F561I451-F526 HydrophobicContact CD1-CE2 4.3Å; I451-F526 HydrophobicContact CD1-CZ 4.25Å; L499-F526 HydrophobicContact CD1-CD1 4.35Å; L517-F526 HydrophobicContact CD2-CE1 4.42Å; L517-F526 HydrophobicContact CD2-CZ 3.72Å; N520-F526 PolarHBondContact ND2-O 3.35Å; G523-F526 WeakPolarHBondContact CA-O 3.09Å; F526-V531 HydrophobicContact CD2-CG2 4.25Å; F526-V531 HydrophobicContact CE2-CG2 4.17Å; F526-F561 HydrophobicContact CE2-CE1 4.17Å; F526-F561 HydrophobicContact CE2-CZ 4.1Å; F526-F561 HydrophobicContact CZ-CZ 4.41Å
527D88.8Confident86.5Confident75 Ų7539.6 Ų39.640%0.40123%0.229SC..  trans-81.2117.1175.6175.613.7000110.5R446 Q529 A530R446-D527 PolarHBondContact O-N 3.36Å; D527-Q529 VanDerWaalsContact C-N 3.28Å; D527-Q529 PolarHBondContact O-N 3.25Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.35Å; D527-Q529 PolarHBondContact OD1-N 3.29Å; D527-A530 HydrophobicContact CB-CB 4.01Å; D527-A530 VanDerWaalsContact O-CB 3.27Å; D527-A530 WeakPolarHBondContact O-CB 3.31Å; D527-A530 PolarHBondContact O-N 3.43Å
528A88Confident86.7Confident20 Ų2040.3 Ų40.317%0.16523%0.232CC..THydrogen-bonded Turntrans-67.4-26.4179.500000113.2A530 V531 M560 F561A528-A530 PolarHBondContact O-N 3.03Å; A528-V531 PolarHBondContact O-N 3.12Å; A528-M560 VanDerWaalsContact CB-O 3.23Å; A528-M560 WeakPolarHBondContact CB-O 3.41Å; A528-F561 HydrophobicContact CB-CD1 4.05Å; A528-F561 HydrophobicContact CB-CE1 3.93Å
529Q88.6Confident87.1Confident86 Ų8635.8 Ų35.840%0.40221%0.208SC..THydrogen-bonded Turntrans-71.8-20.7176.2-62.8-60.3-41.200112.5D527 V531 K532D527-Q529 VanDerWaalsContact C-N 3.28Å; D527-Q529 PolarHBondContact O-N 3.25Å; D527-Q529 WeakPolarHBondContact OD1-CB 3.35Å; D527-Q529 PolarHBondContact OD1-N 3.29Å; Q529-V531 VanDerWaalsContact C-N 3.34Å; Q529-K532 PolarHBondContact O-NZ 3.35Å
530A90.2Very high87.3Confident13 Ų1331.2 Ų31.211%0.10719%0.188CC..THydrogen-bonded Turntrans-75.7-27.917700000111.2R441 D527 A528 K532R441-A530 PolarHBondContact NH2-O 3.27Å; D527-A530 HydrophobicContact CB-CB 4.01Å; D527-A530 VanDerWaalsContact O-CB 3.27Å; D527-A530 WeakPolarHBondContact O-CB 3.31Å; D527-A530 PolarHBondContact O-N 3.43Å; A528-A530 PolarHBondContact O-N 3.03Å; A530-K532 PolarHBondContact O-N 3.44Å
531V93.8Very high87.8Confident2 Ų231 Ų311%0.01219%0.187CC..  trans-69.9119176.8-177.30000110.2P448 T449 I451 F526 A528 Q529 I534 F561P448-V531 HydrophobicContact CG-CG2 4.27Å; P448-V531 WeakPolarHBondContact O-CG2 3.09Å; T449-V531 CarbonylContact O-C 3.52Å; T449-V531 WeakPolarHBondContact O-CA 3.43Å; I451-V531 HydrophobicContact CD1-CG1 4.17Å; I451-V531 HydrophobicContact CD1-CG2 4.14Å; I451-V531 HydrophobicContact CG1-CG1 4.13Å; I451-V531 HydrophobicContact CG1-CG2 4.43Å; F526-V531 HydrophobicContact CD2-CG2 4.25Å; F526-V531 HydrophobicContact CE2-CG2 4.17Å; A528-V531 PolarHBondContact O-N 3.12Å; Q529-V531 VanDerWaalsContact C-N 3.34Å; V531-I534 HydrophobicContact CG1-CG1 4.02Å; V531-F561 HydrophobicContact CB-CD1 4.1Å; V531-F561 HydrophobicContact CB-CE1 3.87Å; V531-F561 HydrophobicContact CG1-CD1 4.32Å; V531-F561 HydrophobicContact CG1-CE1 4.11Å; V531-F561 HydrophobicContact CG2-CE1 3.81Å
532K94.1Very high88.9Confident81 Ų8125.9 Ų25.935%0.35215%0.153SC..  trans-103.1-16.8-178.7-57.4-49.9-178-165.80113.6T449 Q529 A530 K567 C568 Q569T449-K532 HydrophobicContact CG2-CB 4.25Å; T449-K532 HydrophobicContact CG2-CG 4.1Å; T449-K532 PolarHBondContact O-N 2.87Å; Q529-K532 PolarHBondContact O-NZ 3.35Å; A530-K532 PolarHBondContact O-N 3.44Å; K532-K567 WeakPolarHBondContact CD-O 3.02Å; K532-C568 CarbonylContact O-C 3.58Å; K532-C568 WeakPolarHBondContact O-CA 3.48Å; K532-Q569 PolarHBondContact O-N 2.91Å
533C95.2Very high90Very high7 Ų720.9 Ų20.95%0.04712%0.123CC..EExtended strand (participates in β ladder)trans-150.7139.1-178.1-176.80000112C450 I451 Q569 L571C450-C533 CarbonylContact C-O 3.51Å; C450-C533 VanDerWaalsContact CA-O 3.3Å; C450-C533 WeakPolarHBondContact CA-O 3.4Å; C450-C533 HydrophobicContact CB-CB 4.36Å; I451-C533 PolarHBondContact N-O 3.24Å; C533-Q569 CarbonylContact C-O 3.41Å; C533-Q569 WeakPolarHBondContact CA-O 3.27Å; C533-L571 WeakPolarHBondContact SG-CD1 3.48Å
534I97.2Very high90.5Very high1 Ų125.3 Ų25.31%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-124.1126170-59.2177000108.2I451 V531 L536 L557 F561 L563 Q569 L570 L571I451-I534 HydrophobicContact CB-CG1 4.36Å; I451-I534 CarbonylContact O-C 3.57Å; I451-I534 VanDerWaalsContact O-CA 3.29Å; I451-I534 WeakPolarHBondContact O-CA 3.47Å; V531-I534 HydrophobicContact CG1-CG1 4.02Å; I534-L536 HydrophobicContact CG2-CD2 4.16Å; I534-L557 HydrophobicContact CD1-CD2 3.91Å; I534-F561 HydrophobicContact CD1-CB 4.22Å; I534-F561 HydrophobicContact CD1-CD1 4.07Å; I534-F561 HydrophobicContact CD1-CD2 3.44Å; I534-F561 VanDerWaalsContact CD1-CD2 3.44Å; I534-F561 HydrophobicContact CD1-CE1 4.3Å; I534-F561 HydrophobicContact CD1-CE2 3.71Å; I534-F561 HydrophobicContact CD1-CG 3.63Å; I534-F561 HydrophobicContact CD1-CZ 4.14Å; I534-L563 HydrophobicContact CD1-CD2 4.38Å; I534-Q569 PolarHBondContact N-O 3.21Å; I534-L570 HydrophobicContact CB-CD1 3.97Å; I534-L570 HydrophobicContact CG2-CD1 3.99Å; I534-L570 CarbonylContact O-C 3.28Å; I534-L570 WeakPolarHBondContact O-CA 3.32Å; I534-L571 PolarHBondContact O-N 2.93Å
535A97.8Very high90.6Very high0 Ų024.8 Ų24.80%012%0.124CC..EExtended strand (participates in β ladder)trans-112125.3175.400000110.6Y426 I451 F452 V453 L571Y426-A535 HydrophobicContact CE2-CB 4.08Å; I451-A535 PolarHBondContact O-N 2.72Å; F452-A535 HydrophobicContact CD1-CB 4.43Å; F452-A535 HydrophobicContact CD2-CB 3.57Å; F452-A535 HydrophobicContact CE2-CB 3.71Å; F452-A535 HydrophobicContact CG-CB 3.98Å; F452-A535 HydrophobicContact CZ-CB 4.17Å; V453-A535 PolarHBondContact N-O 3.49Å; A535-L571 CarbonylContact C-O 3.55Å; A535-L571 VanDerWaalsContact CA-O 3.31Å; A535-L571 WeakPolarHBondContact CA-O 3.33Å; A535-L571 HydrophobicContact CB-CB 4.15Å; A535-L571 HydrophobicContact CB-CD1 4.32Å
536L97.6Very high90.6Very high2 Ų226.8 Ų26.81%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-109.789172.7-54.1-178.8000108.4V453 I534 L539 M542 L554 L557 L570 L571 V572 S573V453-L536 HydrophobicContact CB-CD2 3.88Å; V453-L536 HydrophobicContact CG2-CD2 3.9Å; I534-L536 HydrophobicContact CG2-CD2 4.16Å; L536-L539 HydrophobicContact CD1-CD1 4.42Å; L536-M542 HydrophobicContact CB-CE 4.17Å; L536-L554 HydrophobicContact CD1-CD2 3.76Å; L536-L557 HydrophobicContact CD1-CD1 4.27Å; L536-L570 HydrophobicContact CD1-CD1 4.29Å; L536-L570 HydrophobicContact CG-CD1 4.26Å; L536-L571 PolarHBondContact N-O 3.39Å; L536-V572 HydrophobicContact CB-CG2 4.39Å; L536-V572 HydrophobicContact CD1-CG2 4.39Å; L536-S573 PolarHBondContact O-N 2.75Å
537D96.1Very high90.4Very high1 Ų128.7 Ų28.71%0.00515%0.147CC..THydrogen-bonded Turntrans-87.1128-176.4-16232.4000111.8T423 Y426 F452 V453 P455 M542 S573T423-D537 WeakPolarHBondContact CG2-OD2 3.23Å; T423-D537 PolarHBondContact OG1-OD1 3.5Å; T423-D537 PolarHBondContact OG1-OD2 3.12Å; Y426-D537 VanDerWaalsContact OH-CB 3.27Å; Y426-D537 WeakPolarHBondContact OH-CB 3.3Å; Y426-D537 PolarHBondContact OH-OD1 3.08Å; F452-D537 HydrophobicContact CE1-CB 3.58Å; F452-D537 HydrophobicContact CZ-CB 3.94Å; V453-D537 PolarHBondContact O-N 3.41Å; P455-D537 WeakPolarHBondContact CD-O 3.19Å; D537-M542 WeakPolarHBondContact O-CE 3.05Å; D537-S573 VanDerWaalsContact OD1-CB 3.3Å; D537-S573 WeakPolarHBondContact OD1-CB 3.42Å; D537-S573 PolarHBondContact OD1-OG 3.31Å
538N93.1Very high90.1Very high15 Ų1530.1 Ų30.18%0.0815%0.154CC..THydrogen-bonded Turntrans57.152.6-174.5-61.8-42.3000113.2P455 Q459 N540 D541 M542 S573P455-N538 HydrophobicContact CG-CB 3.82Å; Q459-N538 PolarHBondContact OE1-ND2 2.82Å; N538-N540 PolarHBondContact O-N 2.72Å; N538-D541 HydrophobicContact CB-CB 4.29Å; N538-D541 WeakPolarHBondContact O-CB 3.37Å; N538-D541 PolarHBondContact O-N 2.68Å; N538-M542 PolarHBondContact O-N 3.19Å; N538-S573 CarbonylContact C-O 3.56Å; N538-S573 VanDerWaalsContact CA-O 3.31Å; N538-S573 WeakPolarHBondContact CA-O 3.49Å; N538-S573 PolarHBondContact N-O 2.95Å; N538-S573 VanDerWaalsContact N-O 3.15Å; N538-S573 PolarHBondContact N-OG 3.46Å
539L94.3Very high90.2Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-49.6-37179.6179.566.2000113.5L536 D541 M542 V543 T550 V572 S573 L581 M582 I586L536-L539 HydrophobicContact CD1-CD1 4.42Å; L539-D541 VanDerWaalsContact C-N 3.28Å; L539-D541 PolarHBondContact O-N 3.48Å; L539-M542 HydrophobicContact CD1-SD 4.26Å; L539-M542 WeakPolarHBondContact O-CB 3.3Å; L539-M542 PolarHBondContact O-N 3.27Å; L539-M542 VanDerWaalsContact O-N 3.13Å; L539-V543 HydrophobicContact CD1-CG2 4.38Å; L539-V543 HydrophobicContact CG-CG2 4.48Å; L539-V543 PolarHBondContact O-N 3.42Å; L539-T550 HydrophobicContact CD1-CG2 3.95Å; L539-V572 HydrophobicContact CB-CG1 4.12Å; L539-V572 HydrophobicContact CD2-CG1 3.88Å; L539-S573 PolarHBondContact N-O 3.48Å; L539-L581 HydrophobicContact CD2-CD1 4.5Å; L539-L581 HydrophobicContact CD2-CD2 3.86Å; L539-L581 HydrophobicContact CD2-CG 4.17Å; L539-L581 HydrophobicContact CG-CD2 4.07Å; L539-M582 HydrophobicContact CD2-CE 4.18Å; L539-M582 HydrophobicContact CD2-SD 4.37Å; L539-I586 HydrophobicContact CD2-CD1 3.5Å; L539-I586 HydrophobicContact CD2-CG1 3.59Å
540N89.9Confident90.3Very high12 Ų1227.4 Ų27.46%0.06414%0.14CC..Hα-helixtrans-62.4-35.9178-52.2111.2000113N538 R544 G574 R575 I576 H578N538-N540 PolarHBondContact O-N 2.72Å; N540-R544 WeakPolarHBondContact O-CB 3.45Å; N540-R544 PolarHBondContact O-N 3.27Å; N540-G574 VanDerWaalsContact OD1-C 3.29Å; N540-G574 WeakPolarHBondContact OD1-CA 3.31Å; N540-R575 PolarHBondContact OD1-N 3.29Å; N540-I576 PolarHBondContact ND2-O 2.86Å; N540-I576 PolarHBondContact OD1-N 3.48Å; N540-I576 PolarHBondContact OD1-O 2.77Å; N540-H578 PolarHBondContact ND2-CD2 2.94Å; N540-H578 VanDerWaalsContact ND2-CD2 3.27Å
541D88Confident90.4Very high4 Ų429 Ų292%0.02115%0.146CC..Hα-helixtrans-71.9-35.2176.2-72.6-19.3000109.9P455 N538 L539 R544 V545 R575P455-D541 HydrophobicContact CB-CB 3.74Å; P455-D541 HydrophobicContact CG-CB 3.53Å; N538-D541 HydrophobicContact CB-CB 4.29Å; N538-D541 WeakPolarHBondContact O-CB 3.37Å; N538-D541 PolarHBondContact O-N 2.68Å; L539-D541 VanDerWaalsContact C-N 3.28Å; L539-D541 PolarHBondContact O-N 3.48Å; D541-R544 PolarHBondContact O-N 3.22Å; D541-R544 IonicContact OD1-CZ 2.68Å; D541-R544 IonicContact OD1-NH1 2.82Å; D541-R544 PolarHBondContact OD1-NH1 3.42Å; D541-R544 IonicContact OD1-NH2 3.72Å; D541-R544 PolarHBondContact OD1-NH2 3.21Å; D541-V545 VanDerWaalsContact O-CG2 3.27Å; D541-V545 WeakPolarHBondContact O-CG2 3.46Å; D541-V545 PolarHBondContact O-N 3.28Å; D541-R575 IonicContact OD1-CZ 3.83Å; D541-R575 IonicContact OD1-NE 3.72Å; D541-R575 IonicContact OD1-NH2 2.72Å; D541-R575 IonicContact OD2-CZ 2.77Å; D541-R575 IonicContact OD2-NE 3.24Å; D541-R575 PolarHBondContact OD2-NE 3.45Å; D541-R575 IonicContact OD2-NH2 3.46Å; D541-R575 PolarHBondContact OD2-NH2 3.02Å
542M91Very high90.3Very high3 Ų334.4 Ų34.42%0.01517%0.169CC..Hα-helixtrans-61.3-50.6173.5-58.3-176.4-163.800112V453 P455 V510 L536 D537 N538 L539 R544 V545 L546 T550V453-M542 HydrophobicContact CB-CE 4.08Å; V453-M542 HydrophobicContact CG1-CE 3.93Å; V453-M542 HydrophobicContact CG1-SD 3.98Å; V453-M542 WeakPolarHBondContact O-CE 3.37Å; P455-M542 HydrophobicContact CB-CG 4.27Å; P455-M542 HydrophobicContact CG-CG 4.05Å; V510-M542 HydrophobicContact CG2-CB 3.94Å; V510-M542 HydrophobicContact CG2-CG 3.97Å; V510-M542 HydrophobicContact CG2-SD 3.59Å; V510-M542 VanDerWaalsContact CG2-SD 3.59Å; L536-M542 HydrophobicContact CB-CE 4.17Å; D537-M542 WeakPolarHBondContact O-CE 3.05Å; N538-M542 PolarHBondContact O-N 3.19Å; L539-M542 HydrophobicContact CD1-SD 4.26Å; L539-M542 WeakPolarHBondContact O-CB 3.3Å; L539-M542 PolarHBondContact O-N 3.27Å; L539-M542 VanDerWaalsContact O-N 3.13Å; M542-R544 PolarHBondContact O-N 3.03Å; M542-V545 PolarHBondContact O-N 2.7Å; M542-L546 CarbonylContact O-C 3.55Å; M542-L546 PolarHBondContact O-N 2.71Å; M542-T550 HydrophobicContact CB-CG2 4.13Å; M542-T550 PolarHBondContact O-OG1 3.36Å
543V87.9Confident90.3Very high25 Ų2530.6 Ų30.615%0.15215%0.153CC..Hα-helixtrans-62.5-33.9177.7174.40000111.2L539 P547 T550 L581L539-V543 HydrophobicContact CD1-CG2 4.38Å; L539-V543 HydrophobicContact CG-CG2 4.48Å; L539-V543 PolarHBondContact O-N 3.42Å; V543-P547 WeakPolarHBondContact O-CA 3.46Å; V543-P547 VanDerWaalsContact O-CB 3.26Å; V543-P547 WeakPolarHBondContact O-CB 3.41Å; V543-P547 WeakPolarHBondContact O-CD 3.12Å; V543-T550 HydrophobicContact CG2-CG2 3.61Å; V543-L581 HydrophobicContact CG2-CD1 4Å; V543-L581 HydrophobicContact CG2-CD2 3.74Å
544R81.4Confident90.3Very high123 Ų12330.6 Ų30.646%0.46415%0.152SC..Hα-helixtrans-65.5-48175.8-174.9-17871.6-130.1-7112N540 D541 M542 D967N540-R544 WeakPolarHBondContact O-CB 3.45Å; N540-R544 PolarHBondContact O-N 3.27Å; D541-R544 PolarHBondContact O-N 3.22Å; D541-R544 IonicContact OD1-CZ 2.68Å; D541-R544 IonicContact OD1-NH1 2.82Å; D541-R544 PolarHBondContact OD1-NH1 3.42Å; D541-R544 IonicContact OD1-NH2 3.72Å; D541-R544 PolarHBondContact OD1-NH2 3.21Å; M542-R544 PolarHBondContact O-N 3.03Å; R544-D967 IonicContact NE-OD2 3.55Å
545V79.8Confident90Very high45 Ų4536 Ų3627%0.27318%0.177SC..Hα-helixtrans-78.8-39.9-172.9-178.80000111.3D541 M542D541-V545 VanDerWaalsContact O-CG2 3.27Å; D541-V545 WeakPolarHBondContact O-CG2 3.46Å; D541-V545 PolarHBondContact O-N 3.28Å; M542-V545 PolarHBondContact O-N 2.7Å
546L82.7Confident89.7Confident48 Ų4839.2 Ų39.225%0.25119%0.189SC..  trans-137.468.7-175-66.7174.4000110.7V510 D511 M542 N548 D549 T550V510-L546 HydrophobicContact CB-CD1 4.33Å; D511-L546 HydrophobicContact CB-CD1 3.85Å; M542-L546 CarbonylContact O-C 3.55Å; M542-L546 PolarHBondContact O-N 2.71Å; L546-N548 PolarHBondContact O-N 2.55Å; L546-D549 HydrophobicContact CB-CB 4.22Å; L546-T550 VanDerWaalsContact O-CB 3.23Å; L546-T550 WeakPolarHBondContact O-CB 3.32Å; L546-T550 PolarHBondContact O-N 2.82Å; L546-T550 PolarHBondContact O-OG1 2.78Å
547P83.5Confident89.4Confident40 Ų4039.1 Ų39.126%0.2619%0.189SC..Hα-helixtrans-58.7-52.5-17419.5-30.4000112.1V543 D549 T550 M551V543-P547 WeakPolarHBondContact O-CA 3.46Å; V543-P547 VanDerWaalsContact O-CB 3.26Å; V543-P547 WeakPolarHBondContact O-CB 3.41Å; V543-P547 WeakPolarHBondContact O-CD 3.12Å; P547-D549 PolarHBondContact O-N 3.04Å; P547-T550 PolarHBondContact O-N 3.5Å; P547-M551 VanDerWaalsContact O-CG 3.3Å; P547-M551 WeakPolarHBondContact O-CG 3.38Å; P547-M551 PolarHBondContact O-N 2.99Å
548N82.8Confident89.2Confident104 Ų10442.3 Ų42.356%0.55621%0.21SC*.Hα-helixtrans-63.7-44.6-176.5-67-19.2000112.5L546 M551 K552L546-N548 PolarHBondContact O-N 2.55Å; N548-M551 PolarHBondContact O-N 2.92Å; N548-K552 VanDerWaalsContact O-CG 3.31Å; N548-K552 WeakPolarHBondContact O-CG 3.32Å; N548-K552 PolarHBondContact O-N 3.27Å
549D88.8Confident89.1Confident49 Ų4947.7 Ų47.726%0.26223%0.234SC..Hα-helixtrans-70.8-36180-65.8-16.2000110.6V510 L514 L546 P547 M551 K552 L553V510-D549 HydrophobicContact CG1-CB 4.05Å; L514-D549 HydrophobicContact CD1-CB 3.78Å; L514-D549 WeakPolarHBondContact CD1-O 3.47Å; L546-D549 HydrophobicContact CB-CB 4.22Å; P547-D549 PolarHBondContact O-N 3.04Å; D549-M551 PolarHBondContact O-N 3.04Å; D549-K552 PolarHBondContact O-N 3.23Å; D549-L553 WeakPolarHBondContact O-CB 3.14Å; D549-L553 PolarHBondContact O-N 3.37Å
550T92.2Very high88.7Confident1 Ų149.2 Ų49.21%0.00624%0.242CC..Hα-helixtrans-63.5-44.1173.9-54.40000110.8L539 M542 V543 L546 P547 L553 L554L539-T550 HydrophobicContact CD1-CG2 3.95Å; M542-T550 HydrophobicContact CB-CG2 4.13Å; M542-T550 PolarHBondContact O-OG1 3.36Å; V543-T550 HydrophobicContact CG2-CG2 3.61Å; L546-T550 VanDerWaalsContact O-CB 3.23Å; L546-T550 WeakPolarHBondContact O-CB 3.32Å; L546-T550 PolarHBondContact O-N 2.82Å; L546-T550 PolarHBondContact O-OG1 2.78Å; P547-T550 PolarHBondContact O-N 3.5Å; T550-L553 WeakPolarHBondContact O-CB 3.46Å; T550-L553 PolarHBondContact O-N 3.45Å; T550-L554 WeakPolarHBondContact O-CG 3.4Å; T550-L554 PolarHBondContact O-N 3.42Å
551M91Very high88.7Confident46 Ų4649 Ų4923%0.22724%0.24CC..Hα-helixtrans-62.8-43.6176.6-67.6-43.1-59.300112.5P547 N548 D549 L553 L554 Q555 L581 H585P547-M551 VanDerWaalsContact O-CG 3.3Å; P547-M551 WeakPolarHBondContact O-CG 3.38Å; P547-M551 PolarHBondContact O-N 2.99Å; N548-M551 PolarHBondContact O-N 2.92Å; D549-M551 PolarHBondContact O-N 3.04Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 2.63Å; M551-L554 PolarHBondContact O-N 3.42Å; M551-L554 HydrophobicContact SD-CD1 4.33Å; M551-Q555 WeakPolarHBondContact O-CG 3.05Å; M551-Q555 PolarHBondContact O-N 3.17Å; M551-L581 HydrophobicContact SD-CD1 4.09Å; M551-H585 HydrophobicContact CE-CB 4.28Å; M551-H585 WeakPolarHBondContact CE-CD2 3.47Å; M551-H585 VanDerWaalsContact CE-CE1 3.41Å; M551-H585 WeakPolarHBondContact CE-CE1 3.44Å; M551-H585 VanDerWaalsContact CE-CG 3.48Å; M551-H585 VanDerWaalsContact CE-NE2 3.29Å; M551-H585 WeakPolarHBondContact CE-NE2 3.48Å
552K92.8Very high88.8Confident115 Ų11553.2 Ų53.250%0.526%0.26SS..Hα-helixtrans-59.8-42.4173.7-74.2172.6-176.1174.50111.8L514 N548 D549 Q555 R556L514-K552 HydrophobicContact CD1-CB 4.03Å; L514-K552 HydrophobicContact CD2-CB 4.46Å; N548-K552 VanDerWaalsContact O-CG 3.31Å; N548-K552 WeakPolarHBondContact O-CG 3.32Å; N548-K552 PolarHBondContact O-N 3.27Å; D549-K552 PolarHBondContact O-N 3.23Å; K552-Q555 PolarHBondContact O-N 3.12Å; K552-R556 WeakPolarHBondContact O-CB 3.31Å; K552-R556 WeakPolarHBondContact O-CG 3.18Å; K552-R556 PolarHBondContact O-N 3.05Å
553L94.3Very high88.7Confident2 Ų253.9 Ų53.91%0.0126%0.263CS..Hα-helixtrans-59.9-49.9176.6178.262.6000110.6V510 L513 L514 L517 D549 T550 M551 Q555 R556 L557V510-L553 HydrophobicContact CB-CD2 4.38Å; V510-L553 HydrophobicContact CG1-CB 4.22Å; V510-L553 HydrophobicContact CG1-CD2 4.01Å; V510-L553 HydrophobicContact CG2-CD2 4.19Å; L513-L553 HydrophobicContact CD2-CD1 3.73Å; L513-L553 HydrophobicContact CD2-CD2 4.1Å; L513-L553 HydrophobicContact CG-CD1 4.03Å; L514-L553 HydrophobicContact CD1-CB 4.23Å; L514-L553 HydrophobicContact CD2-CB 4.05Å; L514-L553 HydrophobicContact CD2-CD1 4.15Å; L514-L553 HydrophobicContact CG-CB 3.96Å; L514-L553 HydrophobicContact CG-CD1 4.25Å; L517-L553 HydrophobicContact CD1-CD1 3.74Å; D549-L553 WeakPolarHBondContact O-CB 3.14Å; D549-L553 PolarHBondContact O-N 3.37Å; T550-L553 WeakPolarHBondContact O-CB 3.46Å; T550-L553 PolarHBondContact O-N 3.45Å; M551-L553 VanDerWaalsContact C-N 3.32Å; M551-L553 PolarHBondContact O-N 2.63Å; L553-Q555 VanDerWaalsContact C-N 3.25Å; L553-Q555 PolarHBondContact O-N 3.03Å; L553-R556 PolarHBondContact O-N 3.47Å; L553-L557 HydrophobicContact CD1-CD2 4.17Å; L553-L557 HydrophobicContact CD1-CG 4.41Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CG 3.26Å; L553-L557 PolarHBondContact O-N 3.16Å
554L93.9Very high88.4Confident6 Ų655.8 Ų55.83%0.03128%0.275CS..Hα-helixtrans-59.2-35.4179.8-66.7179.8000112.7L536 T550 M551 L557 P558 L581 H585 I586L536-L554 HydrophobicContact CD1-CD2 3.76Å; T550-L554 WeakPolarHBondContact O-CG 3.4Å; T550-L554 PolarHBondContact O-N 3.42Å; M551-L554 PolarHBondContact O-N 3.42Å; M551-L554 HydrophobicContact SD-CD1 4.33Å; L554-L557 HydrophobicContact CD2-CD1 4.21Å; L554-P558 WeakPolarHBondContact O-CD 3.37Å; L554-L581 HydrophobicContact CD1-CD1 3.82Å; L554-H585 HydrophobicContact CD1-CB 4.05Å; L554-I586 HydrophobicContact CD1-CD1 3.82Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.32Å
555Q92.1Very high87.9Confident114 Ų11452.9 Ų52.953%0.53327%0.267SS..Hα-helixtrans-68.9-38173.7-71171.2-14.200112.6M551 K552 L553 P558M551-Q555 WeakPolarHBondContact O-CG 3.05Å; M551-Q555 PolarHBondContact O-N 3.17Å; K552-Q555 PolarHBondContact O-N 3.12Å; L553-Q555 VanDerWaalsContact C-N 3.25Å; L553-Q555 PolarHBondContact O-N 3.03Å; Q555-P558 WeakPolarHBondContact O-CD 3.44Å; Q555-P558 WeakPolarHBondContact O-CG 3.18Å
556R90.9Very high87.7Confident68 Ų6857.2 Ų57.226%0.25729%0.289SS..Hα-helixtrans-76.5-27.2-178.3-67.8-76.3-94.6140.20.5113.6L514 N518 K552 L553 E559 M560L514-R556 HydrophobicContact CD2-CG 4.38Å; N518-R556 PolarHBondContact OD1-NH2 3.27Å; N518-R556 VanDerWaalsContact OD1-NH2 3.13Å; K552-R556 WeakPolarHBondContact O-CB 3.31Å; K552-R556 WeakPolarHBondContact O-CG 3.18Å; K552-R556 PolarHBondContact O-N 3.05Å; L553-R556 PolarHBondContact O-N 3.47Å; R556-E559 WeakPolarHBondContact CD-OE2 3.27Å; R556-E559 IonicContact CZ-OE2 3Å; R556-E559 IonicContact NE-OE2 2.72Å; R556-E559 IonicContact NH1-OE2 3.2Å; R556-E559 PolarHBondContact NH1-OE2 3.33Å; R556-E559 WeakPolarHBondContact O-CB 3.33Å; R556-E559 PolarHBondContact O-N 3.04Å; R556-M560 PolarHBondContact O-N 3.22Å
557L92Very high88Confident0 Ų059.7 Ų59.70%030%0.297CS..Hα-helixtrans-53.8-53.4-179.9-73.8-178000113.7I534 L536 L553 L554 E559 M560 F561 L563I534-L557 HydrophobicContact CD1-CD2 3.91Å; L536-L557 HydrophobicContact CD1-CD1 4.27Å; L553-L557 HydrophobicContact CD1-CD2 4.17Å; L553-L557 HydrophobicContact CD1-CG 4.41Å; L553-L557 HydrophobicContact CG-CG 4.44Å; L553-L557 WeakPolarHBondContact O-CG 3.26Å; L553-L557 PolarHBondContact O-N 3.16Å; L554-L557 HydrophobicContact CD2-CD1 4.21Å; L557-E559 VanDerWaalsContact C-N 3.27Å; L557-E559 PolarHBondContact O-N 2.89Å; L557-M560 PolarHBondContact O-N 3.24Å; L557-F561 HydrophobicContact CD2-CD2 3.87Å; L557-F561 HydrophobicContact CD2-CE2 3.87Å; L557-F561 WeakPolarHBondContact O-CD2 3.37Å; L557-F561 PolarHBondContact O-N 3.46Å; L557-L563 HydrophobicContact CB-CD1 4.3Å
558P91.2Very high88.4Confident68 Ų6857.9 Ų57.944%0.44229%0.286SS..Hα-helixtrans-68.2-21.9179.426.7-36.1000114.3L554 Q555 M560 L589L554-P558 WeakPolarHBondContact O-CD 3.37Å; Q555-P558 WeakPolarHBondContact O-CD 3.44Å; Q555-P558 WeakPolarHBondContact O-CG 3.18Å; P558-M560 VanDerWaalsContact C-N 3.3Å; P558-L589 HydrophobicContact CB-CD2 3.9Å; P558-L589 HydrophobicContact CG-CD2 3.8Å
559E89.7Confident88.9Confident128 Ų12853.2 Ų53.260%0.59826%0.261SS*.Hα-helixtrans-69.4-31.4175-61.3174-172.800111.9R556 L557R556-E559 WeakPolarHBondContact CD-OE2 3.27Å; R556-E559 IonicContact CZ-OE2 3Å; R556-E559 IonicContact NE-OE2 2.72Å; R556-E559 IonicContact NH1-OE2 3.2Å; R556-E559 PolarHBondContact NH1-OE2 3.33Å; R556-E559 WeakPolarHBondContact O-CB 3.33Å; R556-E559 PolarHBondContact O-N 3.04Å; L557-E559 VanDerWaalsContact C-N 3.27Å; L557-E559 PolarHBondContact O-N 2.89Å
560M86.1Confident89.3Confident33 Ų3350.9 Ų50.916%0.16325%0.248CC..Hα-helixtrans-104.7-31.9-172.2-63.9-170.868.600113.1L517 A528 R556 L557 P558L517-M560 HydrophobicContact CB-CE 4.36Å; L517-M560 HydrophobicContact CB-SD 3.81Å; L517-M560 HydrophobicContact CD1-SD 4.07Å; L517-M560 HydrophobicContact CD2-CE 3.67Å; L517-M560 HydrophobicContact CD2-SD 3.67Å; L517-M560 HydrophobicContact CG-SD 4.03Å; A528-M560 VanDerWaalsContact CB-O 3.23Å; A528-M560 WeakPolarHBondContact CB-O 3.41Å; R556-M560 PolarHBondContact O-N 3.22Å; L557-M560 PolarHBondContact O-N 3.24Å; P558-M560 VanDerWaalsContact C-N 3.3Å
561F90.7Very high89.5Confident6 Ų650.9 Ų50.93%0.02625%0.248CC..SBendtrans-120.4136.4-171.8-54.7-74.5000111.8I451 L517 F526 A528 V531 I534 L557 L563I451-F561 HydrophobicContact CD1-CE1 4.25Å; I451-F561 HydrophobicContact CD1-CZ 3.8Å; L517-F561 HydrophobicContact CD2-CE2 4.39Å; L517-F561 HydrophobicContact CD2-CZ 4.27Å; F526-F561 HydrophobicContact CE2-CE1 4.17Å; F526-F561 HydrophobicContact CE2-CZ 4.1Å; F526-F561 HydrophobicContact CZ-CZ 4.41Å; A528-F561 HydrophobicContact CB-CD1 4.05Å; A528-F561 HydrophobicContact CB-CE1 3.93Å; V531-F561 HydrophobicContact CB-CD1 4.1Å; V531-F561 HydrophobicContact CB-CE1 3.87Å; V531-F561 HydrophobicContact CG1-CD1 4.32Å; V531-F561 HydrophobicContact CG1-CE1 4.11Å; V531-F561 HydrophobicContact CG2-CE1 3.81Å; I534-F561 HydrophobicContact CD1-CB 4.22Å; I534-F561 HydrophobicContact CD1-CD1 4.07Å; I534-F561 HydrophobicContact CD1-CD2 3.44Å; I534-F561 VanDerWaalsContact CD1-CD2 3.44Å; I534-F561 HydrophobicContact CD1-CE1 4.3Å; I534-F561 HydrophobicContact CD1-CE2 3.71Å; I534-F561 HydrophobicContact CD1-CG 3.63Å; I534-F561 HydrophobicContact CD1-CZ 4.14Å; L557-F561 HydrophobicContact CD2-CD2 3.87Å; L557-F561 HydrophobicContact CD2-CE2 3.87Å; L557-F561 WeakPolarHBondContact O-CD2 3.37Å; L557-F561 PolarHBondContact O-N 3.46Å; F561-L563 HydrophobicContact CB-CD2 3.86Å; F561-L563 HydrophobicContact CB-CG 4.26Å; F561-L563 PolarHBondContact O-N 2.89Å; F561-L563 VanDerWaalsContact O-N 3.1Å
562Q89.6Confident89.8Confident94 Ų9448.7 Ų48.744%0.43924%0.237SC..  trans-80.988.4172.3-68.9177.913.100109.9T564 K567 C568Q562-T564 VanDerWaalsContact C-N 3.28Å; Q562-T564 PolarHBondContact O-N 2.93Å; Q562-K567 HydrophobicContact CB-CB 4.07Å; Q562-K567 HydrophobicContact CB-CG 4.38Å; Q562-K567 VanDerWaalsContact O-CB 3.23Å; Q562-K567 WeakPolarHBondContact O-CB 3.41Å; Q562-C568 WeakPolarHBondContact O-CB 3.45Å; Q562-C568 PolarHBondContact O-N 3.14Å; Q562-C568 VanDerWaalsContact O-N 3.12Å
563L89.5Confident90Very high16 Ų1643.2 Ų43.28%0.08421%0.213CC..  trans-79.469.4-175.5-57.5177.6000112.3I534 L557 F561 C568 L570 L589 P591I534-L563 HydrophobicContact CD1-CD2 4.38Å; L557-L563 HydrophobicContact CB-CD1 4.3Å; F561-L563 HydrophobicContact CB-CD2 3.86Å; F561-L563 HydrophobicContact CB-CG 4.26Å; F561-L563 PolarHBondContact O-N 2.89Å; F561-L563 VanDerWaalsContact O-N 3.1Å; L563-C568 WeakPolarHBondContact CA-O 3.38Å; L563-C568 HydrophobicContact CD2-CB 4.1Å; L563-L570 HydrophobicContact CD1-CD2 4.47Å; L563-L589 WeakPolarHBondContact CB-O 3.42Å; L563-L589 HydrophobicContact CD1-CB 3.8Å; L563-L589 HydrophobicContact CD1-CD1 4.25Å; L563-L589 HydrophobicContact CD1-CD2 4.14Å; L563-L589 HydrophobicContact CD1-CG 4.29Å; L563-P591 WeakPolarHBondContact O-CD 3.39Å
564T81.2Confident89.9Confident65 Ų6543.1 Ų43.140%0.39921%0.213SC..SBendtrans-134161.9177.364.80000110.9Q562 N566 K567 C568Q562-T564 VanDerWaalsContact C-N 3.28Å; Q562-T564 PolarHBondContact O-N 2.93Å; T564-N566 PolarHBondContact O-N 3.21Å; T564-K567 PolarHBondContact O-N 3.15Å; T564-K567 VanDerWaalsContact O-N 3.12Å; T564-K567 WeakPolarHBondContact OG1-CG 3.11Å; T564-C568 PolarHBondContact O-N 3.34Å
565Q71.9Confident89.7Confident63 Ų6346.1 Ų46.129%0.29422%0.224SC..THydrogen-bonded Turntrans-52.5138.3171.8-177.7177.20.300111.1K410 K567 D592K410-Q565 HydrophobicContact CG-CG 4.49Å; Q565-K567 PolarHBondContact O-N 3.06Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.34Å; Q565-D592 PolarHBondContact N-OD2 3.33Å
566N75.9Confident89.6Confident135 Ų13542.3 Ų42.372%0.72221%0.207SC*.THydrogen-bonded Turntrans67.40.8-177.4-50.1-31.9000116.6T564T564-N566 PolarHBondContact O-N 3.21Å
567K87Confident89.5Confident100 Ų10039.4 Ų39.444%0.43520%0.196SC..THydrogen-bonded Turntrans-107.2-83.1173.5-66.2-64.7-171.4175.10110.5K532 Q562 T564 Q565K532-K567 WeakPolarHBondContact CD-O 3.02Å; Q562-K567 HydrophobicContact CB-CB 4.07Å; Q562-K567 HydrophobicContact CB-CG 4.38Å; Q562-K567 VanDerWaalsContact O-CB 3.23Å; Q562-K567 WeakPolarHBondContact O-CB 3.41Å; T564-K567 PolarHBondContact O-N 3.15Å; T564-K567 VanDerWaalsContact O-N 3.12Å; T564-K567 WeakPolarHBondContact OG1-CG 3.11Å; Q565-K567 PolarHBondContact O-N 3.06Å
568C92.4Very high89.3Confident3 Ų340 Ų402%0.0220%0.199CC..  trans-128.7113.4175.8-176.80000109.9K532 Q562 L563 T564K532-C568 CarbonylContact O-C 3.58Å; K532-C568 WeakPolarHBondContact O-CA 3.48Å; Q562-C568 WeakPolarHBondContact O-CB 3.45Å; Q562-C568 PolarHBondContact O-N 3.14Å; Q562-C568 VanDerWaalsContact O-N 3.12Å; L563-C568 WeakPolarHBondContact CA-O 3.38Å; L563-C568 HydrophobicContact CD2-CB 4.1Å; T564-C568 PolarHBondContact O-N 3.34Å
569Q93.8Very high88.9Confident6 Ų638.4 Ų38.43%0.02819%0.188CC..EExtended strand (participates in β ladder)trans-75.4138.3176.1-174.8178.414.400110.2V406 K410 K532 C533 I534 L571V406-Q569 PolarHBondContact O-NE2 2.91Å; V406-Q569 VanDerWaalsContact O-NE2 3.14Å; K410-Q569 PolarHBondContact O-NE2 3.09Å; K532-Q569 PolarHBondContact O-N 2.91Å; C533-Q569 CarbonylContact C-O 3.41Å; C533-Q569 WeakPolarHBondContact CA-O 3.27Å; I534-Q569 PolarHBondContact N-O 3.21Å; Q569-L571 HydrophobicContact CG-CD2 3.9Å; Q569-L571 HydrophobicContact CG-CG 4.32Å
570L96.3Very high88.7Confident0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-109.3128.6172.9-173.260.5000109.6S411 V412 I534 L536 L563 V572 L589 M590S411-L570 WeakPolarHBondContact CA-O 3.27Å; S411-L570 WeakPolarHBondContact CB-O 3.31Å; S411-L570 PolarHBondContact OG-N 3.5Å; S411-L570 VanDerWaalsContact OG-N 3.09Å; S411-L570 PolarHBondContact OG-O 2.89Å; V412-L570 PolarHBondContact N-O 2.94Å; I534-L570 HydrophobicContact CB-CD1 3.97Å; I534-L570 HydrophobicContact CG2-CD1 3.99Å; I534-L570 CarbonylContact O-C 3.28Å; I534-L570 WeakPolarHBondContact O-CA 3.32Å; L536-L570 HydrophobicContact CD1-CD1 4.29Å; L536-L570 HydrophobicContact CG-CD1 4.26Å; L563-L570 HydrophobicContact CD1-CD2 4.47Å; L570-V572 HydrophobicContact CD1-CG2 4.37Å; L570-V572 HydrophobicContact CD2-CG2 4.25Å; L570-V572 HydrophobicContact CG-CG2 3.9Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.27Å; L570-M590 HydrophobicContact CB-CE 4.4Å; L570-M590 HydrophobicContact CB-CG 4.19Å; L570-M590 HydrophobicContact CD2-CG 3.7Å; L570-M590 HydrophobicContact CD2-SD 4.19Å; L570-M590 HydrophobicContact CG-CE 4.43Å; L570-M590 HydrophobicContact CG-CG 4.24Å; L570-M590 HydrophobicContact CG-SD 4.47Å; L570-M590 VanDerWaalsContact O-CE 3.3Å; L570-M590 WeakPolarHBondContact O-CE 3.39Å
571L97.4Very high88.8Confident0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-120.4122.7179.9-53.4170.4000107.8V406 V412 Y426 V430 C533 I534 A535 L536 Q569V406-L571 HydrophobicContact CG1-CD2 3.97Å; V406-L571 HydrophobicContact CG2-CD2 4.18Å; V412-L571 HydrophobicContact CG1-CD2 3.73Å; Y426-L571 HydrophobicContact CD1-CB 4.37Å; Y426-L571 HydrophobicContact CD2-CB 4.22Å; Y426-L571 HydrophobicContact CD2-CD1 3.7Å; Y426-L571 HydrophobicContact CG-CB 4.14Å; Y426-L571 HydrophobicContact CG-CD1 3.88Å; Y426-L571 HydrophobicContact CG-CG 4.42Å; V430-L571 HydrophobicContact CG2-CD1 3.33Å; C533-L571 WeakPolarHBondContact SG-CD1 3.48Å; I534-L571 PolarHBondContact O-N 2.93Å; A535-L571 CarbonylContact C-O 3.55Å; A535-L571 VanDerWaalsContact CA-O 3.31Å; A535-L571 WeakPolarHBondContact CA-O 3.33Å; A535-L571 HydrophobicContact CB-CB 4.15Å; A535-L571 HydrophobicContact CB-CD1 4.32Å; L536-L571 PolarHBondContact N-O 3.39Å; Q569-L571 HydrophobicContact CG-CD2 3.9Å; Q569-L571 HydrophobicContact CG-CG 4.32Å
572V97.3Very high88.8Confident0 Ų035.7 Ų35.70%018%0.178CC..EExtended strand (participates in β ladder)trans-128.7136.6-175.7-174.10000109.7V412 L413 V414 L536 L539 L570 I586 M590V412-V572 PolarHBondContact O-N 2.85Å; L413-V572 WeakPolarHBondContact CA-O 3.32Å; L413-V572 HydrophobicContact CD1-CB 3.67Å; L413-V572 HydrophobicContact CD1-CG1 3.54Å; V414-V572 PolarHBondContact N-O 2.81Å; L536-V572 HydrophobicContact CB-CG2 4.39Å; L536-V572 HydrophobicContact CD1-CG2 4.39Å; L539-V572 HydrophobicContact CB-CG1 4.12Å; L539-V572 HydrophobicContact CD2-CG1 3.88Å; L570-V572 HydrophobicContact CD1-CG2 4.37Å; L570-V572 HydrophobicContact CD2-CG2 4.25Å; L570-V572 HydrophobicContact CG-CG2 3.9Å; V572-I586 HydrophobicContact CB-CG2 4.45Å; V572-I586 HydrophobicContact CG1-CG2 4.33Å; V572-I586 HydrophobicContact CG2-CG2 4Å; V572-M590 HydrophobicContact CG2-CE 4.11Å; V572-M590 HydrophobicContact CG2-SD 4.03Å
573S96.3Very high88.6Confident0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-127.2143172.6107.20000111.2V414 L536 D537 N538 L539V414-S573 CarbonylContact O-C 3.21Å; V414-S573 WeakPolarHBondContact O-CA 3.32Å; L536-S573 PolarHBondContact O-N 2.75Å; D537-S573 VanDerWaalsContact OD1-CB 3.3Å; D537-S573 WeakPolarHBondContact OD1-CB 3.42Å; D537-S573 PolarHBondContact OD1-OG 3.31Å; N538-S573 CarbonylContact C-O 3.56Å; N538-S573 VanDerWaalsContact CA-O 3.31Å; N538-S573 WeakPolarHBondContact CA-O 3.49Å; N538-S573 PolarHBondContact N-O 2.95Å; N538-S573 VanDerWaalsContact N-O 3.15Å; N538-S573 PolarHBondContact N-OG 3.46Å; L539-S573 PolarHBondContact N-O 3.48Å
574G93.6Very high88.5Confident0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-141.5156-179.600000112.4V414 V415 G416 K422 N540V414-G574 PolarHBondContact O-N 3.3Å; V415-G574 WeakPolarHBondContact CA-O 3.34Å; G416-G574 PolarHBondContact N-O 2.93Å; G416-G574 VanDerWaalsContact N-O 3.15Å; K422-G574 WeakPolarHBondContact CD-O 3.36Å; K422-G574 WeakPolarHBondContact CE-O 3.2Å; N540-G574 VanDerWaalsContact OD1-C 3.29Å; N540-G574 WeakPolarHBondContact OD1-CA 3.31Å
575R89.1Confident88.9Confident70 Ų7037.4 Ų37.426%0.26418%0.183SC..SBendtrans-84-39.5169.1-63.4-170.2-169-158.57.5112.7G416 L418 N540 D541G416-R575 CarbonylContact C-O 3.56Å; G416-R575 VanDerWaalsContact O-CA 3.31Å; G416-R575 WeakPolarHBondContact O-CA 3.43Å; L418-R575 VanDerWaalsContact CD2-CZ 3.4Å; N540-R575 PolarHBondContact OD1-N 3.29Å; D541-R575 IonicContact OD1-CZ 3.83Å; D541-R575 IonicContact OD1-NE 3.72Å; D541-R575 IonicContact OD1-NH2 2.72Å; D541-R575 IonicContact OD2-CZ 2.77Å; D541-R575 IonicContact OD2-NE 3.24Å; D541-R575 PolarHBondContact OD2-NE 3.45Å; D541-R575 IonicContact OD2-NH2 3.46Å; D541-R575 PolarHBondContact OD2-NH2 3.02Å
576I89.4Confident90Very high33 Ų3334.4 Ų34.417%0.16917%0.169CC..SBendtrans-136139-173.2-58.8163.1000107.6N540 H578 E602 K762N540-I576 PolarHBondContact ND2-O 2.86Å; N540-I576 PolarHBondContact OD1-N 3.48Å; N540-I576 PolarHBondContact OD1-O 2.77Å; I576-H578 PolarHBondContact O-N 3.45Å; I576-E602 VanDerWaalsContact CA-OE1 3.28Å; I576-E602 WeakPolarHBondContact CA-OE1 3.22Å; I576-K762 HydrophobicContact CD1-CB 4.08Å; I576-K762 HydrophobicContact CD1-CG 4.41Å
577W90.1Very high90.7Very high8 Ų829.4 Ų29.43%0.0314%0.142CC..  trans-74118.6171-179.4-84.7000109.1L413 V415 M582 V583 L587 V595 F597 E602 Y606L413-W577 HydrophobicContact CD2-CE3 4.42Å; L413-W577 HydrophobicContact CD2-CH2 4.04Å; L413-W577 HydrophobicContact CD2-CZ3 3.52Å; L413-W577 HydrophobicContact CG-CZ3 4.39Å; V415-W577 HydrophobicContact CG1-CB 4.11Å; V415-W577 HydrophobicContact CG2-CE3 3.84Å; V415-W577 HydrophobicContact CG2-CZ3 4.42Å; W577-M582 HydrophobicContact CD2-CB 4.15Å; W577-M582 HydrophobicContact CD2-CG 3.95Å; W577-M582 HydrophobicContact CE3-CB 4.34Å; W577-M582 HydrophobicContact CE3-CG 4.03Å; W577-M582 HydrophobicContact CG-CG 4.43Å; W577-M582 HydrophobicContact CH2-CB 3.95Å; W577-M582 HydrophobicContact CH2-CG 4.5Å; W577-M582 HydrophobicContact CZ2-CB 3.74Å; W577-M582 HydrophobicContact CZ2-CG 4.43Å; W577-M582 HydrophobicContact CZ3-CB 4.25Å; W577-M582 HydrophobicContact CZ3-CG 4.31Å; W577-V583 HydrophobicContact CZ2-CG2 4.22Å; W577-L587 HydrophobicContact CH2-CD1 4.13Å; W577-L587 HydrophobicContact CZ2-CD1 4.41Å; W577-V595 HydrophobicContact CH2-CG1 4.16Å; W577-V595 HydrophobicContact CZ3-CG1 3.66Å; W577-F597 HydrophobicContact CB-CE1 3.77Å; W577-F597 HydrophobicContact CB-CZ 4.37Å; W577-F597 AromaticContact CD2-CE1 3.81Å; W577-F597 HydrophobicContact CD2-CE1 3.81Å; W577-F597 AromaticContact CD2-CZ 3.48Å; W577-F597 HydrophobicContact CD2-CZ 3.48Å; W577-F597 VanDerWaalsContact CD2-CZ 3.48Å; W577-F597 AromaticContact CE3-CE1 3.59Å; W577-F597 HydrophobicContact CE3-CE1 3.59Å; W577-F597 HydrophobicContact CE3-CE2 4.02Å; W577-F597 AromaticContact CE3-CZ 3.15Å; W577-F597 HydrophobicContact CE3-CZ 3.15Å; W577-F597 AromaticContact CG-CE1 3.91Å; W577-F597 HydrophobicContact CG-CE1 3.91Å; W577-F597 HydrophobicContact CG-CZ 4.03Å; W577-F597 HydrophobicContact CH2-CZ 4.21Å; W577-F597 HydrophobicContact CZ2-CZ 4.46Å; W577-F597 HydrophobicContact CZ3-CE1 4.39Å; W577-F597 HydrophobicContact CZ3-CE2 4.02Å; W577-F597 AromaticContact CZ3-CZ 3.56Å; W577-F597 HydrophobicContact CZ3-CZ 3.56Å; W577-E602 HydrophobicContact CB-CG 4.44Å; W577-E602 PolarHBondContact N-OE1 3.43Å; W577-Y606 HydrophobicContact CB-CD2 3.54Å; W577-Y606 HydrophobicContact CB-CE2 3.46Å; W577-Y606 VanDerWaalsContact CB-CE2 3.46Å; W577-Y606 HydrophobicContact CB-CG 4.27Å; W577-Y606 AromaticContact CD1-CD1 3.48Å; W577-Y606 VanDerWaalsContact CD1-CD1 3.48Å; W577-Y606 AromaticContact CD1-CD2 3.55Å; W577-Y606 AromaticContact CD1-CE1 3.84Å; W577-Y606 AromaticContact CD1-CE2 3.86Å; W577-Y606 AromaticContact CD1-CG 3.34Å; W577-Y606 HydrophobicContact CG-CD1 4.43Å; W577-Y606 AromaticContact CG-CD2 3.73Å; W577-Y606 HydrophobicContact CG-CD2 3.73Å; W577-Y606 AromaticContact CG-CE2 4Å; W577-Y606 HydrophobicContact CG-CE2 4Å; W577-Y606 AromaticContact CG-CG 3.96Å; W577-Y606 HydrophobicContact CG-CG 3.96Å; W577-Y606 WeakPolarHBondContact O-CE2 3.38Å; W577-Y606 PolarHBondContact O-OH 3.02Å
578H85.9Confident90.9Very high13 Ų1328.9 Ų28.96%0.0615%0.149CC..  trans-108.7105.3172.3-83.4-74.4000107.8N540 I576 D580 L581 M582 R1022N540-H578 PolarHBondContact ND2-CD2 2.94Å; N540-H578 VanDerWaalsContact ND2-CD2 3.27Å; I576-H578 PolarHBondContact O-N 3.45Å; H578-D580 PolarHBondContact O-N 3.46Å; H578-L581 HydrophobicContact CB-CB 3.95Å; H578-L581 HydrophobicContact CB-CD2 4.44Å; H578-L581 PolarHBondContact O-N 2.94Å; H578-L581 VanDerWaalsContact O-N 3.15Å; H578-M582 WeakPolarHBondContact O-CB 3.47Å; H578-M582 VanDerWaalsContact O-CG 3.3Å; H578-M582 WeakPolarHBondContact O-CG 3.25Å; H578-M582 PolarHBondContact O-N 3.48Å; H578-R1022 PolarHBondContact CE1-NH1 3.18Å; H578-R1022 PolarHBondContact CE1-NH2 3.24Å; H578-R1022 PolarHBondContact ND1-NH2 2.99Å; H578-R1022 PolarHBondContact NE2-NH1 3.27Å; H578-R1022 PolarHBondContact NE2-NH2 3.03Å; H578-R1022 VanDerWaalsContact NE2-NH2 3.12Å
579T84.7Confident90.8Very high34 Ų3429.7 Ų29.721%0.20915%0.153CC..Hα-helixtrans-52.1-50.1-169.8-55.50000112.8V342 L581 M582 V583 Y606V342-T579 HydrophobicContact CB-CG2 4.29Å; V342-T579 HydrophobicContact CG1-CG2 4.19Å; V342-T579 HydrophobicContact CG2-CG2 4.15Å; T579-L581 PolarHBondContact O-N 2.93Å; T579-M582 PolarHBondContact O-N 2.68Å; T579-V583 HydrophobicContact CG2-CG2 3.93Å; T579-V583 VanDerWaalsContact O-CB 3.23Å; T579-V583 WeakPolarHBondContact O-CB 3.46Å; T579-V583 WeakPolarHBondContact O-CG2 3.3Å; T579-V583 PolarHBondContact O-N 3.05Å; T579-Y606 WeakPolarHBondContact OG1-CD1 3.36Å
580D84.1Confident90.7Very high93 Ų9329.6 Ų29.650%0.49715%0.153SC..Iπ-helixtrans-60.4-48.7-178.9-52.7-33.3000111.6H578 Q584H578-D580 PolarHBondContact O-N 3.46Å; D580-Q584 WeakPolarHBondContact O-CB 3.41Å; D580-Q584 WeakPolarHBondContact O-CG 3.44Å; D580-Q584 PolarHBondContact O-N 2.92Å
581L88.4Confident90.1Very high16 Ų1632 Ų328%0.08417%0.168CC..Iπ-helixtrans-60.5-50.3177.8178.266000111.8L539 V543 M551 L554 H578 T579 H585 I586L539-L581 HydrophobicContact CD2-CD1 4.5Å; L539-L581 HydrophobicContact CD2-CD2 3.86Å; L539-L581 HydrophobicContact CD2-CG 4.17Å; L539-L581 HydrophobicContact CG-CD2 4.07Å; V543-L581 HydrophobicContact CG2-CD1 4Å; V543-L581 HydrophobicContact CG2-CD2 3.74Å; M551-L581 HydrophobicContact SD-CD1 4.09Å; L554-L581 HydrophobicContact CD1-CD1 3.82Å; H578-L581 HydrophobicContact CB-CB 3.95Å; H578-L581 HydrophobicContact CB-CD2 4.44Å; H578-L581 PolarHBondContact O-N 2.94Å; H578-L581 VanDerWaalsContact O-N 3.15Å; T579-L581 PolarHBondContact O-N 2.93Å; L581-H585 WeakPolarHBondContact O-CB 3.39Å; L581-H585 PolarHBondContact O-N 3.49Å; L581-I586 PolarHBondContact O-N 3.38Å
582M90.2Very high89.4Confident0 Ų033.4 Ų33.40%018%0.176CC..Iπ-helixtrans-71.6-47.7-172.6-63.4-59.8171.900111.2L413 L539 W577 H578 T579 I586 L587L413-M582 HydrophobicContact CD1-SD 4.03Å; L413-M582 HydrophobicContact CD2-SD 4.05Å; L539-M582 HydrophobicContact CD2-CE 4.18Å; L539-M582 HydrophobicContact CD2-SD 4.37Å; W577-M582 HydrophobicContact CD2-CB 4.15Å; W577-M582 HydrophobicContact CD2-CG 3.95Å; W577-M582 HydrophobicContact CE3-CB 4.34Å; W577-M582 HydrophobicContact CE3-CG 4.03Å; W577-M582 HydrophobicContact CG-CG 4.43Å; W577-M582 HydrophobicContact CH2-CB 3.95Å; W577-M582 HydrophobicContact CH2-CG 4.5Å; W577-M582 HydrophobicContact CZ2-CB 3.74Å; W577-M582 HydrophobicContact CZ2-CG 4.43Å; W577-M582 HydrophobicContact CZ3-CB 4.25Å; W577-M582 HydrophobicContact CZ3-CG 4.31Å; H578-M582 WeakPolarHBondContact O-CB 3.47Å; H578-M582 VanDerWaalsContact O-CG 3.3Å; H578-M582 WeakPolarHBondContact O-CG 3.25Å; H578-M582 PolarHBondContact O-N 3.48Å; T579-M582 PolarHBondContact O-N 2.68Å; M582-I586 PolarHBondContact O-N 3.39Å; M582-I586 HydrophobicContact SD-CB 4.45Å; M582-I586 HydrophobicContact SD-CG1 4.25Å; M582-L587 WeakPolarHBondContact O-CG 3.48Å; M582-L587 PolarHBondContact O-N 2.91Å
583V86.8Confident89.2Confident35 Ų3533.6 Ų33.621%0.21218%0.177CC..Iπ-helixtrans-77-41.4-174.6179.30000111.9P344 W577 T579 L587 P588P344-V583 HydrophobicContact CB-CG2 4.29Å; W577-V583 HydrophobicContact CZ2-CG2 4.22Å; T579-V583 HydrophobicContact CG2-CG2 3.93Å; T579-V583 VanDerWaalsContact O-CB 3.23Å; T579-V583 WeakPolarHBondContact O-CB 3.46Å; T579-V583 WeakPolarHBondContact O-CG2 3.3Å; T579-V583 PolarHBondContact O-N 3.05Å; V583-L587 HydrophobicContact CG2-CD1 4.36Å; V583-P588 WeakPolarHBondContact O-CD 3.17Å
584Q87Confident89.1Confident118 Ų11833.6 Ų33.655%0.55118%0.177SC*.Iπ-helixtrans-87.1-27.8-174-54.1178.33.700113D580D580-Q584 WeakPolarHBondContact O-CB 3.41Å; D580-Q584 WeakPolarHBondContact O-CG 3.44Å; D580-Q584 PolarHBondContact O-N 2.92Å
585H89.9Confident89.2Confident59 Ų5933.7 Ų33.727%0.27318%0.177SC..Iπ-helixtrans-121.7-25.5-170.6-58-72.5000115.3M551 L554 L581 L589M551-H585 HydrophobicContact CE-CB 4.28Å; M551-H585 WeakPolarHBondContact CE-CD2 3.47Å; M551-H585 VanDerWaalsContact CE-CE1 3.41Å; M551-H585 WeakPolarHBondContact CE-CE1 3.44Å; M551-H585 VanDerWaalsContact CE-CG 3.48Å; M551-H585 VanDerWaalsContact CE-NE2 3.29Å; M551-H585 WeakPolarHBondContact CE-NE2 3.48Å; L554-H585 HydrophobicContact CD1-CB 4.05Å; L581-H585 WeakPolarHBondContact O-CB 3.39Å; L581-H585 PolarHBondContact O-N 3.49Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.37Å; H585-L589 WeakPolarHBondContact O-CG 3.43Å
586I93.7Very high89.4Confident0 Ų030.3 Ų30.30%017%0.165CC..Iπ-helixtrans-101.6-56.8-176.3-60.8-61.8000112.2L539 L554 V572 L581 M582 P588 L589 M590L539-I586 HydrophobicContact CD2-CD1 3.5Å; L539-I586 HydrophobicContact CD2-CG1 3.59Å; L554-I586 HydrophobicContact CD1-CD1 3.82Å; L554-I586 HydrophobicContact CD2-CD1 3.52Å; L554-I586 HydrophobicContact CG-CD1 4.32Å; V572-I586 HydrophobicContact CB-CG2 4.45Å; V572-I586 HydrophobicContact CG1-CG2 4.33Å; V572-I586 HydrophobicContact CG2-CG2 4Å; L581-I586 PolarHBondContact O-N 3.38Å; M582-I586 PolarHBondContact O-N 3.39Å; M582-I586 HydrophobicContact SD-CB 4.45Å; M582-I586 HydrophobicContact SD-CG1 4.25Å; I586-P588 VanDerWaalsContact C-N 3.32Å; I586-L589 WeakPolarHBondContact O-CB 3.43Å; I586-L589 PolarHBondContact O-N 2.79Å; I586-M590 HydrophobicContact CG2-SD 3.54Å; I586-M590 VanDerWaalsContact CG2-SD 3.54Å; I586-M590 WeakPolarHBondContact O-CG 3.39Å
587L91.5Very high89.6Confident29 Ų2929.5 Ų29.515%0.15216%0.16CC..G310 helixtrans-56.6-36.3-177.9-69.2178.8000114L413 W577 M582 V583 L589 M590 V593 V595L413-L587 HydrophobicContact CD2-CD2 4.15Å; W577-L587 HydrophobicContact CH2-CD1 4.13Å; W577-L587 HydrophobicContact CZ2-CD1 4.41Å; M582-L587 WeakPolarHBondContact O-CG 3.48Å; M582-L587 PolarHBondContact O-N 2.91Å; V583-L587 HydrophobicContact CG2-CD1 4.36Å; L587-L589 PolarHBondContact O-N 3.4Å; L587-M590 PolarHBondContact O-N 3.3Å; L587-V593 HydrophobicContact CD2-CG1 4.03Å; L587-V595 HydrophobicContact CD2-CG2 3.95Å
588P90.4Very high89.7Confident89 Ų8931.5 Ų31.558%0.57817%0.171SC*.G310 helixtrans-61.2-24.1175.1-25.837.2000113.8V583 I586 M590V583-P588 WeakPolarHBondContact O-CD 3.17Å; I586-P588 VanDerWaalsContact C-N 3.32Å; P588-M590 VanDerWaalsContact C-N 3.29Å
589L91.1Very high90Very high21 Ų2131.4 Ų31.411%0.1117%0.171CC..G310 helixtrans-84.9-0.4177.3-52.6-178000112.9P558 L563 L570 H585 I586 L587P558-L589 HydrophobicContact CB-CD2 3.9Å; P558-L589 HydrophobicContact CG-CD2 3.8Å; L563-L589 WeakPolarHBondContact CB-O 3.42Å; L563-L589 HydrophobicContact CD1-CB 3.8Å; L563-L589 HydrophobicContact CD1-CD1 4.25Å; L563-L589 HydrophobicContact CD1-CD2 4.14Å; L563-L589 HydrophobicContact CD1-CG 4.29Å; L570-L589 HydrophobicContact CD2-CB 3.78Å; L570-L589 HydrophobicContact CD2-CD1 4.27Å; H585-L589 VanDerWaalsContact O-CD1 3.31Å; H585-L589 WeakPolarHBondContact O-CD1 3.37Å; H585-L589 WeakPolarHBondContact O-CG 3.43Å; I586-L589 WeakPolarHBondContact O-CB 3.43Å; I586-L589 PolarHBondContact O-N 2.79Å; L587-L589 PolarHBondContact O-N 3.4Å
590M91.3Very high90.4Very high3 Ų330 Ų302%0.01516%0.163CC..  trans-134.472.9-169.1-51.3175.780.500111.8V412 L413 L570 V572 I586 L587 P588 D592 V593V412-M590 VanDerWaalsContact O-CE 3.32Å; V412-M590 WeakPolarHBondContact O-CE 3.39Å; L413-M590 HydrophobicContact CB-CE 4.33Å; L570-M590 HydrophobicContact CB-CE 4.4Å; L570-M590 HydrophobicContact CB-CG 4.19Å; L570-M590 HydrophobicContact CD2-CG 3.7Å; L570-M590 HydrophobicContact CD2-SD 4.19Å; L570-M590 HydrophobicContact CG-CE 4.43Å; L570-M590 HydrophobicContact CG-CG 4.24Å; L570-M590 HydrophobicContact CG-SD 4.47Å; L570-M590 VanDerWaalsContact O-CE 3.3Å; L570-M590 WeakPolarHBondContact O-CE 3.39Å; V572-M590 HydrophobicContact CG2-CE 4.11Å; V572-M590 HydrophobicContact CG2-SD 4.03Å; I586-M590 HydrophobicContact CG2-SD 3.54Å; I586-M590 VanDerWaalsContact CG2-SD 3.54Å; I586-M590 WeakPolarHBondContact O-CG 3.39Å; L587-M590 PolarHBondContact O-N 3.3Å; P588-M590 VanDerWaalsContact C-N 3.29Å; M590-D592 VanDerWaalsContact C-N 3.27Å; M590-D592 PolarHBondContact O-N 3.21Å; M590-V593 HydrophobicContact CB-CB 3.72Å; M590-V593 HydrophobicContact CB-CG1 4.42Å; M590-V593 HydrophobicContact CB-CG2 4.16Å; M590-V593 HydrophobicContact CE-CB 4.41Å; M590-V593 HydrophobicContact CE-CG2 3.66Å; M590-V593 WeakPolarHBondContact O-CB 3.46Å; M590-V593 WeakPolarHBondContact O-CG1 3.5Å; M590-V593 PolarHBondContact O-N 3.05Å; M590-V593 HydrophobicContact SD-CG2 4.06Å
591P83Confident90.8Very high51 Ų5125.6 Ų25.633%0.33114%0.14SC..THydrogen-bonded Turntrans-58.3-37.1-17721.3-32000113.3R362 L563R362-P591 VanDerWaalsContact CD-O 3.26Å; R362-P591 WeakPolarHBondContact CD-O 3.39Å; R362-P591 PolarHBondContact NE-O 2.71Å; R362-P591 VanDerWaalsContact NE-O 3.12Å; L563-P591 WeakPolarHBondContact O-CD 3.39Å
592D84.6Confident91Very high29 Ų2925 Ų2516%0.15514%0.136CC..THydrogen-bonded Turntrans-105.829.9-174.2-51.6-59.3000113.6H363 H405 Q565 M590H363-D592 IonicContact CE1-OD1 3.07Å; H363-D592 PolarHBondContact CE1-OD1 3.01Å; H363-D592 VanDerWaalsContact CE1-OD1 3.31Å; H405-D592 PolarHBondContact NE2-O 3.46Å; Q565-D592 WeakPolarHBondContact CB-OD2 3.34Å; Q565-D592 PolarHBondContact N-OD2 3.33Å; M590-D592 VanDerWaalsContact C-N 3.27Å; M590-D592 PolarHBondContact O-N 3.21Å
593V92.3Very high91Very high4 Ų425.1 Ų25.12%0.02414%0.138CC..  trans-66.2139.2-172.466.90000113.7W360 S411 L413 L587 M590 V595W360-V593 HydrophobicContact CZ3-CG1 3.95Å; S411-V593 WeakPolarHBondContact O-CA 3.42Å; L413-V593 HydrophobicContact CB-CG2 4Å; L587-V593 HydrophobicContact CD2-CG1 4.03Å; M590-V593 HydrophobicContact CB-CB 3.72Å; M590-V593 HydrophobicContact CB-CG1 4.42Å; M590-V593 HydrophobicContact CB-CG2 4.16Å; M590-V593 HydrophobicContact CE-CB 4.41Å; M590-V593 HydrophobicContact CE-CG2 3.66Å; M590-V593 WeakPolarHBondContact O-CB 3.46Å; M590-V593 WeakPolarHBondContact O-CG1 3.5Å; M590-V593 PolarHBondContact O-N 3.05Å; M590-V593 HydrophobicContact SD-CG2 4.06Å; V593-V595 HydrophobicContact CG1-CG2 4.03Å; V593-V595 HydrophobicContact CG2-CG2 3.93Å
594L94.6Very high91.2Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-99115.6155170.566.1000108.6W360 V365 F401 H405 S411 V412 L413 L596W360-L594 CarbonylContact O-C 3.55Å; W360-L594 WeakPolarHBondContact O-CA 3.46Å; V365-L594 HydrophobicContact CG1-CD2 4.47Å; V365-L594 HydrophobicContact CG2-CD1 4.31Å; V365-L594 HydrophobicContact CG2-CD2 4.44Å; F401-L594 HydrophobicContact CB-CD2 4.09Å; F401-L594 WeakPolarHBondContact O-CD2 3.32Å; H405-L594 HydrophobicContact CB-CD2 3.66Å; H405-L594 WeakPolarHBondContact CD2-CB 3.33Å; H405-L594 VanDerWaalsContact NE2-CB 3.34Å; H405-L594 WeakPolarHBondContact NE2-CB 3.3Å; H405-L594 PolarHBondContact NE2-N 3.13Å; S411-L594 PolarHBondContact O-N 2.89Å; V412-L594 CarbonylContact C-O 3.52Å; V412-L594 WeakPolarHBondContact CA-O 3.4Å; V412-L594 HydrophobicContact CG2-CB 4.21Å; V412-L594 HydrophobicContact CG2-CD2 4.27Å; V412-L594 HydrophobicContact CG2-CG 4.29Å; V412-L594 WeakPolarHBondContact CG2-O 3.47Å; L413-L594 PolarHBondContact N-O 3.35Å; L594-L596 HydrophobicContact CD1-CD2 3.73Å; L594-L596 HydrophobicContact CD1-CG 4.35Å; L594-L596 HydrophobicContact CD2-CD1 4.13Å; L594-L596 HydrophobicContact CD2-CD2 4.02Å; L594-L596 HydrophobicContact CD2-CG 4.14Å; L594-L596 HydrophobicContact CG-CD1 4.42Å; L594-L596 HydrophobicContact CG-CD2 3.82Å; L594-L596 HydrophobicContact CG-CG 3.92Å
595V94.4Very high91.4Very high2 Ų218.7 Ų18.71%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-93.9128.3173.2-175.90000108.5G359 W360 L413 W577 L587 V593 F597G359-V595 CarbonylContact C-O 3.45Å; G359-V595 VanDerWaalsContact CA-O 3.25Å; G359-V595 WeakPolarHBondContact CA-O 3.38Å; W360-V595 HydrophobicContact CE3-CG2 4.14Å; W360-V595 PolarHBondContact N-O 2.67Å; W360-V595 PolarHBondContact O-N 3.2Å; L413-V595 HydrophobicContact CB-CG2 4.48Å; L413-V595 HydrophobicContact CD2-CG1 4.42Å; L413-V595 HydrophobicContact CD2-CG2 4.47Å; L413-V595 CarbonylContact O-C 3.59Å; L413-V595 WeakPolarHBondContact O-CA 3.48Å; W577-V595 HydrophobicContact CH2-CG1 4.16Å; W577-V595 HydrophobicContact CZ3-CG1 3.66Å; L587-V595 HydrophobicContact CD2-CG2 3.95Å; V593-V595 HydrophobicContact CG1-CG2 4.03Å; V593-V595 HydrophobicContact CG2-CG2 3.93Å; V595-F597 HydrophobicContact CG1-CD2 4.04Å; V595-F597 HydrophobicContact CG1-CE2 3.57Å; V595-F597 HydrophobicContact CG1-CZ 4.4Å
596L94.8Very high91.2Very high0 Ų017.7 Ų17.70%010%0.101CC..EExtended strand (participates in β ladder)trans-123.9127.4178.7-61.3178.4000110.5V357 L358 V398 F401 A402 V412 L413 V414 V415 L594V357-L596 HydrophobicContact CG1-CB 4.31Å; V357-L596 HydrophobicContact CG1-CD2 4Å; L358-L596 CarbonylContact O-C 3.49Å; L358-L596 WeakPolarHBondContact O-CA 3.34Å; V398-L596 HydrophobicContact CB-CD1 4.23Å; V398-L596 WeakPolarHBondContact O-CD1 3.29Å; F401-L596 HydrophobicContact CB-CD1 4.12Å; F401-L596 HydrophobicContact CB-CD2 3.84Å; F401-L596 HydrophobicContact CG-CD2 4.28Å; A402-L596 HydrophobicContact CB-CD1 3.95Å; V412-L596 HydrophobicContact CG2-CD1 4.38Å; L413-L596 PolarHBondContact O-N 3.42Å; V414-L596 HydrophobicContact CG1-CB 4.38Å; V414-L596 HydrophobicContact CG2-CD1 4.23Å; V415-L596 PolarHBondContact N-O 2.91Å; L594-L596 HydrophobicContact CD1-CD2 3.73Å; L594-L596 HydrophobicContact CD1-CG 4.35Å; L594-L596 HydrophobicContact CD2-CD1 4.13Å; L594-L596 HydrophobicContact CD2-CD2 4.02Å; L594-L596 HydrophobicContact CD2-CG 4.14Å; L594-L596 HydrophobicContact CG-CD1 4.42Å; L594-L596 HydrophobicContact CG-CD2 3.82Å; L594-L596 HydrophobicContact CG-CG 3.92Å
597F93.8Very high90.7Very high16 Ų1618.6 Ų18.67%0.0711%0.11CC..EExtended strand (participates in β ladder)trans-112.7124.1168.3-67.9-99000110.1V357 L358 V415 W577 V595 E602 A603V357-F597 WeakPolarHBondContact CA-O 3.44Å; V357-F597 WeakPolarHBondContact CG1-O 3.43Å; L358-F597 HydrophobicContact CB-CB 4.3Å; L358-F597 PolarHBondContact N-O 3.4Å; L358-F597 PolarHBondContact O-N 3.03Å; V415-F597 HydrophobicContact CB-CD1 4.27Å; V415-F597 HydrophobicContact CB-CE1 4.46Å; V415-F597 HydrophobicContact CG1-CD1 4.45Å; W577-F597 HydrophobicContact CB-CE1 3.77Å; W577-F597 HydrophobicContact CB-CZ 4.37Å; W577-F597 AromaticContact CD2-CE1 3.81Å; W577-F597 HydrophobicContact CD2-CE1 3.81Å; W577-F597 AromaticContact CD2-CZ 3.48Å; W577-F597 HydrophobicContact CD2-CZ 3.48Å; W577-F597 VanDerWaalsContact CD2-CZ 3.48Å; W577-F597 AromaticContact CE3-CE1 3.59Å; W577-F597 HydrophobicContact CE3-CE1 3.59Å; W577-F597 HydrophobicContact CE3-CE2 4.02Å; W577-F597 AromaticContact CE3-CZ 3.15Å; W577-F597 HydrophobicContact CE3-CZ 3.15Å; W577-F597 AromaticContact CG-CE1 3.91Å; W577-F597 HydrophobicContact CG-CE1 3.91Å; W577-F597 HydrophobicContact CG-CZ 4.03Å; W577-F597 HydrophobicContact CH2-CZ 4.21Å; W577-F597 HydrophobicContact CZ2-CZ 4.46Å; W577-F597 HydrophobicContact CZ3-CE1 4.39Å; W577-F597 HydrophobicContact CZ3-CE2 4.02Å; W577-F597 AromaticContact CZ3-CZ 3.56Å; W577-F597 HydrophobicContact CZ3-CZ 3.56Å; V595-F597 HydrophobicContact CG1-CD2 4.04Å; V595-F597 HydrophobicContact CG1-CE2 3.57Å; V595-F597 HydrophobicContact CG1-CZ 4.4Å; F597-E602 HydrophobicContact CD1-CG 4.13Å; F597-E602 HydrophobicContact CE1-CG 4.22Å; F597-A603 HydrophobicContact CB-CB 3.71Å; F597-A603 HydrophobicContact CD1-CB 4.11Å; F597-A603 HydrophobicContact CD2-CB 4.39Å; F597-A603 HydrophobicContact CG-CB 3.85Å
598D91.4Very high90.4Very high49 Ų4918.4 Ų18.426%0.26212%0.115SC..SBendtrans-81.8-22.5171.8-172.873.9000112.6V398 V415 I420V398-D598 HydrophobicContact CG1-CB 3.99Å; V415-D598 PolarHBondContact O-N 3.37Å; V415-D598 VanDerWaalsContact O-N 3.13Å; I420-D598 HydrophobicContact CD1-CB 3.56Å; I420-D598 WeakPolarHBondContact CG2-OD2 3.28Å
599D91.9Very high90.4Very high11 Ų1114.5 Ų14.56%0.0599%0.089CC..  trans-105.1111.2-174.8-168.4-47.6000111.3L601 E602 A603 K720D599-L601 VanDerWaalsContact C-N 3.33Å; D599-L601 PolarHBondContact O-N 2.74Å; D599-L601 WeakPolarHBondContact OD1-CB 3.46Å; D599-L601 PolarHBondContact OD1-N 2.84Å; D599-E602 HydrophobicContact CB-CB 3.78Å; D599-E602 PolarHBondContact O-N 3.24Å; D599-E602 PolarHBondContact OD1-N 2.81Å; D599-E602 VanDerWaalsContact OD1-N 3.08Å; D599-A603 VanDerWaalsContact O-CB 3.29Å; D599-A603 WeakPolarHBondContact O-CB 3.47Å; D599-A603 PolarHBondContact O-N 3.13Å; D599-K720 WeakPolarHBondContact OD2-CD 3.49Å; D599-K720 WeakPolarHBondContact OD2-CE 3.31Å; D599-K720 IonicContact OD2-NZ 2.85Å; D599-K720 PolarHBondContact OD2-NZ 3.01Å
600A92.2Very high90.3Very high5 Ų518 Ų184%0.04111%0.105CC..Hα-helixtrans-67.3-30.3-176.400000113.9S604 K720 F723 Y727A600-S604 VanDerWaalsContact O-CB 3.28Å; A600-S604 WeakPolarHBondContact O-CB 3.3Å; A600-S604 PolarHBondContact O-N 3.3Å; A600-S604 PolarHBondContact O-OG 3.36Å; A600-K720 WeakPolarHBondContact CB-O 3.37Å; A600-F723 HydrophobicContact CB-CB 4.22Å; A600-F723 VanDerWaalsContact O-CB 3.32Å; A600-F723 WeakPolarHBondContact O-CB 3.36Å; A600-Y727 VanDerWaalsContact CA-OH 3.24Å; A600-Y727 WeakPolarHBondContact CA-OH 3.27Å; A600-Y727 HydrophobicContact CB-CE1 4.04Å; A600-Y727 VanDerWaalsContact CB-OH 3.22Å; A600-Y727 WeakPolarHBondContact CB-OH 3.48Å
601L94Very high90.4Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-69.2-49.5175.6165.363.2000109.4D599 A603 S604 V605 L611 W716 K720 F723 F759D599-L601 VanDerWaalsContact C-N 3.33Å; D599-L601 PolarHBondContact O-N 2.74Å; D599-L601 WeakPolarHBondContact OD1-CB 3.46Å; D599-L601 PolarHBondContact OD1-N 2.84Å; L601-A603 PolarHBondContact O-N 2.94Å; L601-S604 PolarHBondContact O-N 3.18Å; L601-V605 HydrophobicContact CD1-CG2 3.89Å; L601-V605 WeakPolarHBondContact O-CG2 3.5Å; L601-V605 PolarHBondContact O-N 2.95Å; L601-L611 HydrophobicContact CD1-CD2 4.46Å; L601-W716 HydrophobicContact CD2-CH2 4.09Å; L601-W716 HydrophobicContact CD2-CZ2 3.95Å; L601-K720 HydrophobicContact CB-CB 4.06Å; L601-K720 HydrophobicContact CB-CD 4.41Å; L601-K720 HydrophobicContact CB-CG 3.99Å; L601-K720 HydrophobicContact CD2-CD 4.41Å; L601-K720 HydrophobicContact CD2-CG 4.04Å; L601-F723 HydrophobicContact CB-CB 4.47Å; L601-F723 HydrophobicContact CB-CD2 3.91Å; L601-F723 HydrophobicContact CB-CE2 4.35Å; L601-F723 HydrophobicContact CB-CG 4.1Å; L601-F723 HydrophobicContact CD1-CD1 3.83Å; L601-F723 HydrophobicContact CD1-CD2 3.92Å; L601-F723 HydrophobicContact CD1-CE1 3.54Å; L601-F723 HydrophobicContact CD1-CE2 3.65Å; L601-F723 HydrophobicContact CD1-CG 4.03Å; L601-F723 HydrophobicContact CD1-CZ 3.47Å; L601-F723 VanDerWaalsContact CD1-CZ 3.47Å; L601-F723 HydrophobicContact CG-CD2 4.46Å; L601-F723 HydrophobicContact CG-CE2 4.44Å; L601-F759 HydrophobicContact CD1-CE1 4.1Å; L601-F759 HydrophobicContact CD1-CZ 4.06Å; L601-F759 HydrophobicContact CD2-CD1 4.06Å; L601-F759 HydrophobicContact CD2-CD2 3.67Å; L601-F759 HydrophobicContact CD2-CE1 4.07Å; L601-F759 HydrophobicContact CD2-CE2 3.68Å; L601-F759 HydrophobicContact CD2-CG 3.87Å; L601-F759 HydrophobicContact CD2-CZ 3.91Å; L601-F759 HydrophobicContact CG-CD1 4.45Å; L601-F759 HydrophobicContact CG-CD2 4.16Å; L601-F759 HydrophobicContact CG-CE1 3.96Å; L601-F759 HydrophobicContact CG-CE2 3.63Å; L601-F759 HydrophobicContact CG-CZ 3.53Å
602E92.3Very high90.9Very high4 Ų418.9 Ų18.92%0.01911%0.107CC..Hα-helixtrans-55.4-51.9175.4-179.3169.7-137.600111.5V415 I576 W577 F597 D599 S604 V605 Y606 F759 H763V415-E602 WeakPolarHBondContact CG1-OE2 3.47Å; I576-E602 VanDerWaalsContact CA-OE1 3.28Å; I576-E602 WeakPolarHBondContact CA-OE1 3.22Å; W577-E602 HydrophobicContact CB-CG 4.44Å; W577-E602 PolarHBondContact N-OE1 3.43Å; F597-E602 HydrophobicContact CD1-CG 4.13Å; F597-E602 HydrophobicContact CE1-CG 4.22Å; D599-E602 HydrophobicContact CB-CB 3.78Å; D599-E602 PolarHBondContact O-N 3.24Å; D599-E602 PolarHBondContact OD1-N 2.81Å; D599-E602 VanDerWaalsContact OD1-N 3.08Å; E602-S604 VanDerWaalsContact C-N 3.28Å; E602-S604 PolarHBondContact O-N 2.97Å; E602-V605 PolarHBondContact O-N 3.41Å; E602-Y606 HydrophobicContact CG-CD2 3.57Å; E602-Y606 HydrophobicContact CG-CE2 3.56Å; E602-Y606 WeakPolarHBondContact O-CD2 3.35Å; E602-Y606 PolarHBondContact O-N 2.66Å; E602-F759 HydrophobicContact CB-CE2 4.4Å; E602-H763 IonicContact OE1-CE1 2.73Å; E602-H763 PolarHBondContact OE1-CE1 3.15Å; E602-H763 IonicContact OE1-ND1 3.35Å
603A90.3Very high91.3Very high3 Ų318.7 Ų18.73%0.02511%0.107CC..Hα-helixtrans-57.8-40.1-179.900000112.8L358 F597 D599 L601 G607 Y727L358-A603 HydrophobicContact CB-CB 4.24Å; L358-A603 HydrophobicContact CD2-CB 3.73Å; F597-A603 HydrophobicContact CB-CB 3.71Å; F597-A603 HydrophobicContact CD1-CB 4.11Å; F597-A603 HydrophobicContact CD2-CB 4.39Å; F597-A603 HydrophobicContact CG-CB 3.85Å; D599-A603 VanDerWaalsContact O-CB 3.29Å; D599-A603 WeakPolarHBondContact O-CB 3.47Å; D599-A603 PolarHBondContact O-N 3.13Å; L601-A603 PolarHBondContact O-N 2.94Å; A603-G607 PolarHBondContact O-N 3.34Å; A603-Y727 HydrophobicContact CB-CE1 4.07Å
604S90.7Very high91.4Very high0 Ų020.8 Ų20.80%011%0.114CC..Hα-helixtrans-72.6-45.2-178.3-62.30000112.1A600 L601 E602 G607 G608 V609 F723A600-S604 VanDerWaalsContact O-CB 3.28Å; A600-S604 WeakPolarHBondContact O-CB 3.3Å; A600-S604 PolarHBondContact O-N 3.3Å; A600-S604 PolarHBondContact O-OG 3.36Å; L601-S604 PolarHBondContact O-N 3.18Å; E602-S604 VanDerWaalsContact C-N 3.28Å; E602-S604 PolarHBondContact O-N 2.97Å; S604-G607 CarbonylContact O-C 3.36Å; S604-G607 WeakPolarHBondContact O-CA 3.34Å; S604-G607 PolarHBondContact O-N 3.38Å; S604-G607 VanDerWaalsContact O-N 3.15Å; S604-G608 PolarHBondContact O-N 3.39Å; S604-V609 VanDerWaalsContact O-CB 3.25Å; S604-V609 WeakPolarHBondContact O-CB 3.48Å; S604-V609 WeakPolarHBondContact O-CG2 3.31Å; S604-V609 PolarHBondContact O-N 3.49Å; S604-F723 PolarHBondContact OG-O 2.92Å; S604-F723 VanDerWaalsContact OG-O 3.07Å
605V90.6Very high91.3Very high18 Ų1822.3 Ų22.311%0.10912%0.123CC..Hα-helixtrans-62.1-46.3179.2169.50000110.7L601 E602 G607 G608 F759 L765L601-V605 HydrophobicContact CD1-CG2 3.89Å; L601-V605 WeakPolarHBondContact O-CG2 3.5Å; L601-V605 PolarHBondContact O-N 2.95Å; E602-V605 PolarHBondContact O-N 3.41Å; V605-G607 PolarHBondContact O-N 2.8Å; V605-G608 PolarHBondContact O-N 3.33Å; V605-F759 HydrophobicContact CB-CZ 4.39Å; V605-F759 HydrophobicContact CG2-CE1 4.03Å; V605-F759 HydrophobicContact CG2-CZ 4.12Å; V605-L765 HydrophobicContact CG1-CD1 4.1Å; V605-L765 HydrophobicContact CG1-CD2 3.96Å
606Y86.6Confident91.1Very high38 Ų3822.2 Ų22.215%0.14912%0.123CC..Hα-helixtrans-72.6-21.2176-68.4-57.4000113.8W577 T579 E602 G608 H763W577-Y606 HydrophobicContact CB-CD2 3.54Å; W577-Y606 HydrophobicContact CB-CE2 3.46Å; W577-Y606 VanDerWaalsContact CB-CE2 3.46Å; W577-Y606 HydrophobicContact CB-CG 4.27Å; W577-Y606 AromaticContact CD1-CD1 3.48Å; W577-Y606 VanDerWaalsContact CD1-CD1 3.48Å; W577-Y606 AromaticContact CD1-CD2 3.55Å; W577-Y606 AromaticContact CD1-CE1 3.84Å; W577-Y606 AromaticContact CD1-CE2 3.86Å; W577-Y606 AromaticContact CD1-CG 3.34Å; W577-Y606 HydrophobicContact CG-CD1 4.43Å; W577-Y606 AromaticContact CG-CD2 3.73Å; W577-Y606 HydrophobicContact CG-CD2 3.73Å; W577-Y606 AromaticContact CG-CE2 4Å; W577-Y606 HydrophobicContact CG-CE2 4Å; W577-Y606 AromaticContact CG-CG 3.96Å; W577-Y606 HydrophobicContact CG-CG 3.96Å; W577-Y606 WeakPolarHBondContact O-CE2 3.38Å; W577-Y606 PolarHBondContact O-OH 3.02Å; T579-Y606 WeakPolarHBondContact OG1-CD1 3.36Å; E602-Y606 HydrophobicContact CG-CD2 3.57Å; E602-Y606 HydrophobicContact CG-CE2 3.56Å; E602-Y606 WeakPolarHBondContact O-CD2 3.35Å; E602-Y606 PolarHBondContact O-N 2.66Å; Y606-G608 PolarHBondContact O-N 3.04Å; Y606-H763 AromaticContact CE2-CE1 3.94Å; Y606-H763 AromaticContact CE2-ND1 3.23Å; Y606-H763 WeakPolarHBondContact CE2-ND1 3.45Å; Y606-H763 AromaticContact CZ-ND1 3.41Å; Y606-H763 WeakPolarHBondContact OH-CB 3.4Å; Y606-H763 PolarHBondContact OH-ND1 2.84Å; Y606-H763 PolarHBondContact OH-O 3.26Å
607G82.7Confident90.7Very high19 Ų1924.6 Ų24.620%0.19614%0.143CC..THydrogen-bonded Turntrans-71-3.4165.700000114.4A603 S604 V605 L730 V738A603-G607 PolarHBondContact O-N 3.34Å; S604-G607 CarbonylContact O-C 3.36Å; S604-G607 WeakPolarHBondContact O-CA 3.34Å; S604-G607 PolarHBondContact O-N 3.38Å; S604-G607 VanDerWaalsContact O-N 3.15Å; V605-G607 PolarHBondContact O-N 2.8Å; G607-L730 VanDerWaalsContact CA-CD2 3.44Å; G607-V738 WeakPolarHBondContact O-CB 3.2Å; G607-V738 WeakPolarHBondContact O-CG2 3.41Å
608G85.3Confident90.3Very high25 Ų2528.8 Ų28.826%0.25817%0.166SC..THydrogen-bonded Turntrans93.317.8178.200000114.6S604 V605 Y606 V738S604-G608 PolarHBondContact O-N 3.39Å; V605-G608 PolarHBondContact O-N 3.33Å; Y606-G608 PolarHBondContact O-N 3.04Å; G608-V738 PolarHBondContact O-N 3.47Å
609V89.6Confident90.1Very high7 Ų729.9 Ų29.94%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-74128169.4174.10000109.8S604 F726 V738 G739S604-V609 VanDerWaalsContact O-CB 3.25Å; S604-V609 WeakPolarHBondContact O-CB 3.48Å; S604-V609 WeakPolarHBondContact O-CG2 3.31Å; S604-V609 PolarHBondContact O-N 3.49Å; V609-F726 HydrophobicContact CG1-CD2 4.05Å; V609-F726 HydrophobicContact CG1-CE1 4.38Å; V609-F726 HydrophobicContact CG1-CE2 3.69Å; V609-F726 HydrophobicContact CG1-CZ 3.86Å; V609-F726 HydrophobicContact CG2-CB 4.05Å; V609-F726 HydrophobicContact CG2-CD1 3.94Å; V609-F726 HydrophobicContact CG2-CD2 3.95Å; V609-F726 HydrophobicContact CG2-CE1 4.36Å; V609-F726 HydrophobicContact CG2-CE2 4.36Å; V609-F726 HydrophobicContact CG2-CG 3.72Å; V609-V738 HydrophobicContact CG2-CB 4.42Å; V609-V738 HydrophobicContact CG2-CG1 4.36Å; V609-G739 VanDerWaalsContact CA-O 3.32Å; V609-G739 WeakPolarHBondContact CA-O 3.5Å
610Q90.8Very high89.8Confident93 Ų9333.9 Ų33.944%0.43520%0.196SC..EExtended strand (participates in β ladder)trans-79.5130.1175.1-65.4-179.4-2.900110.2P737 G739 Q740 S741Q610-P737 HydrophobicContact CG-CB 4.34Å; Q610-G739 PolarHBondContact N-O 3.36Å; Q610-Q740 HydrophobicContact CB-CG 4.4Å; Q610-Q740 CarbonylContact O-C 3.6Å; Q610-S741 PolarHBondContact O-N 2.94Å
611L93.1Very high89.6Confident28 Ų2837.4 Ų37.415%0.14721%0.211CC..EExtended strand (participates in β ladder)trans-104.3118176.6-176.162.6000109.4L601 F723 V743 L756 Y760L601-L611 HydrophobicContact CD1-CD2 4.46Å; L611-F723 HydrophobicContact CD1-CE1 4.1Å; L611-F723 HydrophobicContact CD1-CZ 3.85Å; L611-V743 HydrophobicContact CD1-CG2 4.05Å; L611-L756 HydrophobicContact CD2-CD2 4.41Å; L611-Y760 HydrophobicContact CD2-CD2 4.4Å; L611-Y760 HydrophobicContact CD2-CE2 3.49Å; L611-Y760 VanDerWaalsContact CD2-CE2 3.49Å; L611-Y760 HydrophobicContact CG-CE2 4.22Å; L611-Y760 WeakPolarHBondContact CG-OH 3.32Å; L611-Y760 PolarHBondContact O-OH 3.06Å
612D92.1Very high89.4Confident46 Ų4637.5 Ų37.525%0.24621%0.212CC..EExtended strand (participates in β ladder)trans-116.1132.9175.9179.222.2000109.1R614 S741 V742 V743D612-R614 IonicContact OD2-CZ 2.9Å; D612-R614 IonicContact OD2-NE 3.26Å; D612-R614 PolarHBondContact OD2-NE 3.43Å; D612-R614 IonicContact OD2-NH2 2.79Å; D612-R614 PolarHBondContact OD2-NH2 3.02Å; D612-S741 PolarHBondContact N-O 2.87Å; D612-V742 HydrophobicContact CB-CG2 4.19Å; D612-V742 CarbonylContact O-C 3.6Å; D612-V742 WeakPolarHBondContact O-CA 3.34Å; D612-V743 PolarHBondContact O-N 3.11Å
613V94.1Very high89.2Confident25 Ų2538.3 Ų38.315%0.15222%0.216CC..EExtended strand (participates in β ladder)trans-123.1112.8178.9-175.10000108.4V743 A745 L756 Y760 L771V613-V743 HydrophobicContact CG1-CB 4.42Å; V613-V743 HydrophobicContact CG2-CB 4.28Å; V613-A745 HydrophobicContact CG1-CB 4.11Å; V613-L756 HydrophobicContact CG1-CD1 4.38Å; V613-L756 HydrophobicContact CG2-CD1 4.2Å; V613-Y760 HydrophobicContact CG2-CE2 4.45Å; V613-L771 HydrophobicContact CB-CD1 4.2Å; V613-L771 HydrophobicContact CG1-CD1 4.01Å; V613-L771 HydrophobicContact CG1-CD2 4.1Å; V613-L771 HydrophobicContact CG2-CD1 4.43Å
614R93.4Very high89.1Confident47 Ų4743.3 Ų43.318%0.17724%0.239CC..EExtended strand (participates in β ladder)trans-103.7120.5178.2-56-172.5-171.8-169.9-8109.2D612 V616 L629 V742 V743 F744 A745D612-R614 IonicContact OD2-CZ 2.9Å; D612-R614 IonicContact OD2-NE 3.26Å; D612-R614 PolarHBondContact OD2-NE 3.43Å; D612-R614 IonicContact OD2-NH2 2.79Å; D612-R614 PolarHBondContact OD2-NH2 3.02Å; R614-V616 HydrophobicContact CB-CG2 4.2Å; R614-L629 VanDerWaalsContact NH1-CG 3.3Å; R614-L629 VanDerWaalsContact NH2-CD2 3.26Å; R614-V742 HydrophobicContact CG-CG1 4.18Å; R614-V743 PolarHBondContact N-O 3.26Å; R614-F744 HydrophobicContact CB-CD1 4.12Å; R614-F744 HydrophobicContact CB-CE1 4.45Å; R614-F744 WeakPolarHBondContact O-CA 3.44Å; R614-A745 PolarHBondContact O-N 3.48Å
615V92.7Very high89Confident32 Ų3246 Ų4619%0.19425%0.252CS..EExtended strand (participates in β ladder)trans-87.7120.8176.5-178.60000108.1A745 P747 L771 I774V615-A745 CarbonylContact C-O 3.55Å; V615-A745 VanDerWaalsContact CA-O 3.23Å; V615-A745 WeakPolarHBondContact CA-O 3.34Å; V615-P747 HydrophobicContact CG1-CG 3.71Å; V615-L771 HydrophobicContact CG2-CD2 3.46Å; V615-L771 VanDerWaalsContact CG2-CD2 3.46Å; V615-I774 HydrophobicContact CB-CD1 4.21Å; V615-I774 HydrophobicContact CG1-CD1 3.68Å; V615-I774 HydrophobicContact CG2-CD1 3.64Å
616V91.8Very high88.8Confident0 Ų045.2 Ų45.20%025%0.247CC..  trans-136.4123.3-171.6-169.70000108.2R614 E621 K622 A745 K746R614-V616 HydrophobicContact CB-CG2 4.2Å; V616-E621 HydrophobicContact CG1-CB 3.56Å; V616-E621 HydrophobicContact CG1-CG 3.61Å; V616-E621 VanDerWaalsContact CG1-OE2 3.32Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.44Å; V616-K622 HydrophobicContact CB-CG 3.89Å; V616-K622 HydrophobicContact CG1-CB 4.2Å; V616-K622 HydrophobicContact CG1-CG 3.5Å; V616-K622 VanDerWaalsContact CG1-CG 3.5Å; V616-K622 VanDerWaalsContact CG1-N 3.33Å; V616-K622 HydrophobicContact CG2-CG 4.49Å; V616-A745 PolarHBondContact N-O 3.4Å; V616-K746 WeakPolarHBondContact O-CA 3.43Å
617A84.6Confident88.7Confident50 Ų5046.9 Ų46.941%0.41326%0.255SS..  trans-80.5-45.1-172.700000111.7E621A617-E621 PolarHBondContact N-OE2 2.69Å
618D86.4Confident88.9Confident105 Ų10548 Ų4856%0.56126%0.262SS*.SBendtrans-117.9153.8-168.6-60-54000112.9E621 K622D618-E621 WeakPolarHBondContact O-CB 3.41Å; D618-E621 PolarHBondContact O-N 2.87Å; D618-K622 PolarHBondContact O-N 3.44Å; D618-K622 VanDerWaalsContact O-N 3.09Å
619E86.3Confident88.9Confident71 Ų7146.9 Ų46.933%0.33225%0.25SS..Hα-helixtrans-61.2-40.6178.1-68.5-60141.600113.9E621 K622 I623 Y710 K746E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.48Å; E619-K622 WeakPolarHBondContact O-CB 3.3Å; E619-K622 PolarHBondContact O-N 3.3Å; E619-K622 VanDerWaalsContact O-N 3.17Å; E619-K622 IonicContact OE1-NZ 2.74Å; E619-I623 WeakPolarHBondContact O-CG1 3.47Å; E619-I623 PolarHBondContact O-N 3.3Å; E619-Y710 PolarHBondContact OE2-OH 3.48Å; E619-K746 WeakPolarHBondContact OE1-CE 3.42Å; E619-K746 IonicContact OE1-NZ 3.68Å; E619-K746 PolarHBondContact OE1-NZ 2.95Å
620P86.9Confident88.4Confident95 Ų9548.2 Ų48.262%0.61726%0.256SS*.Hα-helixtrans-58.9-39.4174.8-24.735.9000112.7I623 E624P620-I623 PolarHBondContact O-N 3.49Å; P620-E624 PolarHBondContact O-N 2.88Å
621E88.4Confident87.8Confident79 Ų7946.3 Ų46.337%0.36926%0.257SS..Hα-helixtrans-66.2-38.3177.4-166.8-170.8-165.400111.1V616 A617 D618 E619 I623 E624 H625V616-E621 HydrophobicContact CG1-CB 3.56Å; V616-E621 HydrophobicContact CG1-CG 3.61Å; V616-E621 VanDerWaalsContact CG1-OE2 3.32Å; V616-E621 WeakPolarHBondContact CG1-OE2 3.44Å; A617-E621 PolarHBondContact N-OE2 2.69Å; D618-E621 WeakPolarHBondContact O-CB 3.41Å; D618-E621 PolarHBondContact O-N 2.87Å; E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.48Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 2.73Å; E621-E624 PolarHBondContact O-N 3.47Å; E621-H625 PolarHBondContact O-CD2 3.28Å; E621-H625 VanDerWaalsContact O-CD2 3.29Å; E621-H625 PolarHBondContact O-N 3.2Å
622K89.4Confident87Confident2 Ų249.9 Ų49.91%0.00927%0.273CS..Hα-helixtrans-59.8-42.3172.8-74.5-171.5175.9-170.80111.5V616 D618 E619 H625 L626 Y710 F744V616-K622 HydrophobicContact CB-CG 3.89Å; V616-K622 HydrophobicContact CG1-CB 4.2Å; V616-K622 HydrophobicContact CG1-CG 3.5Å; V616-K622 VanDerWaalsContact CG1-CG 3.5Å; V616-K622 VanDerWaalsContact CG1-N 3.33Å; V616-K622 HydrophobicContact CG2-CG 4.49Å; D618-K622 PolarHBondContact O-N 3.44Å; D618-K622 VanDerWaalsContact O-N 3.09Å; E619-K622 WeakPolarHBondContact O-CB 3.3Å; E619-K622 PolarHBondContact O-N 3.3Å; E619-K622 VanDerWaalsContact O-N 3.17Å; E619-K622 IonicContact OE1-NZ 2.74Å; K622-H625 PolarHBondContact O-N 3.04Å; K622-L626 VanDerWaalsContact O-CB 3.26Å; K622-L626 WeakPolarHBondContact O-CB 3.28Å; K622-L626 PolarHBondContact O-N 3.04Å; K622-Y710 HydrophobicContact CB-CE2 4.28Å; K622-Y710 HydrophobicContact CD-CE1 4.26Å; K622-Y710 HydrophobicContact CD-CE2 4.36Å; K622-Y710 PolarHBondContact NZ-O 3.04Å; K622-F744 HydrophobicContact CB-CD2 4.27Å; K622-F744 HydrophobicContact CB-CE2 4.49Å; K622-F744 HydrophobicContact CD-CB 4.45Å; K622-F744 HydrophobicContact CD-CD2 4.3Å; K622-F744 HydrophobicContact CG-CD2 4.2Å
623I88Confident85.9Confident22 Ų2250 Ų5011%0.11327%0.27CS..Hα-helixtrans-66.1-38.8177.3-62.2-61000111.1E619 P620 E621 L626 K627 L654 I661 Y710E619-I623 WeakPolarHBondContact O-CG1 3.47Å; E619-I623 PolarHBondContact O-N 3.3Å; P620-I623 PolarHBondContact O-N 3.49Å; E621-I623 VanDerWaalsContact C-N 3.3Å; E621-I623 PolarHBondContact O-N 2.73Å; I623-L626 WeakPolarHBondContact O-CB 3.33Å; I623-L626 PolarHBondContact O-N 3.34Å; I623-K627 WeakPolarHBondContact O-CG 3.21Å; I623-K627 PolarHBondContact O-N 3.13Å; I623-L654 HydrophobicContact CD1-CD1 3.53Å; I623-I661 HydrophobicContact CG2-CD1 4.36Å; I623-Y710 HydrophobicContact CD1-CE2 4.47Å
624E87.4Confident84.4Confident107 Ų10757.2 Ų57.250%0.529%0.294SS..Hα-helixtrans-65.8-43.9174.9-70.3-54.3122.900112.5P620 E621 L626 K627 A628P620-E624 PolarHBondContact O-N 2.88Å; E621-E624 PolarHBondContact O-N 3.47Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 3.01Å; E624-K627 WeakPolarHBondContact O-CB 3.03Å; E624-K627 PolarHBondContact O-N 3.42Å; E624-K627 WeakPolarHBondContact OE1-CD 3.45Å; E624-K627 WeakPolarHBondContact OE1-CE 3.24Å; E624-K627 IonicContact OE1-NZ 3.31Å; E624-K627 PolarHBondContact OE1-NZ 3.15Å; E624-A628 PolarHBondContact O-N 2.79Å
625H88Confident82.5Confident58 Ų5861.4 Ų61.427%0.26932%0.32SS..Hα-helixtrans-61.6-37.6172.7-81.3-63.9000112.4E621 K622 A628 L629 F744E621-H625 PolarHBondContact O-CD2 3.28Å; E621-H625 VanDerWaalsContact O-CD2 3.29Å; E621-H625 PolarHBondContact O-N 3.2Å; K622-H625 PolarHBondContact O-N 3.04Å; H625-A628 PolarHBondContact O-N 2.8Å; H625-L629 WeakPolarHBondContact O-CG 3.43Å; H625-L629 PolarHBondContact O-N 2.97Å; H625-F744 HydrophobicContact CB-CE1 4.24Å; H625-F744 HydrophobicContact CB-CZ 4.02Å
626L88.4Confident80.6Confident0 Ų066.6 Ų66.60%034%0.34CS..Hα-helixtrans-65.9-41.3175.2179.555.9000111.8K622 I623 E624 A628 L629 I630 M643 L654 L658 I708 F744K622-L626 VanDerWaalsContact O-CB 3.26Å; K622-L626 WeakPolarHBondContact O-CB 3.28Å; K622-L626 PolarHBondContact O-N 3.04Å; I623-L626 WeakPolarHBondContact O-CB 3.33Å; I623-L626 PolarHBondContact O-N 3.34Å; E624-L626 VanDerWaalsContact C-N 3.27Å; E624-L626 PolarHBondContact O-N 3.01Å; L626-A628 VanDerWaalsContact C-N 3.35Å; L626-L629 PolarHBondContact O-N 3.47Å; L626-I630 HydrophobicContact CD1-CD1 3.76Å; L626-I630 HydrophobicContact CD1-CG1 4.08Å; L626-I630 HydrophobicContact CG-CD1 3.79Å; L626-I630 WeakPolarHBondContact O-CB 3.45Å; L626-I630 WeakPolarHBondContact O-CD1 3.37Å; L626-I630 WeakPolarHBondContact O-CG1 3.03Å; L626-I630 PolarHBondContact O-N 3.46Å; L626-M643 HydrophobicContact CD1-CE 3.26Å; L626-M643 HydrophobicContact CD2-CE 3.63Å; L626-M643 HydrophobicContact CG-CE 4.08Å; L626-L654 HydrophobicContact CD2-CD1 4.28Å; L626-L658 HydrophobicContact CD2-CD2 3.67Å; L626-L658 HydrophobicContact CD2-CG 4.49Å; L626-L658 HydrophobicContact CG-CD2 4.35Å; L626-I708 HydrophobicContact CD1-CD1 3.81Å; L626-F744 HydrophobicContact CB-CE2 4.33Å; L626-F744 HydrophobicContact CB-CZ 4.45Å
627K84.1Confident78.7Confident74 Ų7470.7 Ų70.732%0.32237%0.374SS..Hα-helixtrans-58.9-46.5172.6-76.3171.6-176.8173.20111.3I623 E624 I630 A631 I661I623-K627 WeakPolarHBondContact O-CG 3.21Å; I623-K627 PolarHBondContact O-N 3.13Å; E624-K627 WeakPolarHBondContact O-CB 3.03Å; E624-K627 PolarHBondContact O-N 3.42Å; E624-K627 WeakPolarHBondContact OE1-CD 3.45Å; E624-K627 WeakPolarHBondContact OE1-CE 3.24Å; E624-K627 IonicContact OE1-NZ 3.31Å; E624-K627 PolarHBondContact OE1-NZ 3.15Å; K627-I630 PolarHBondContact O-N 3.18Å; K627-A631 VanDerWaalsContact O-CB 3.26Å; K627-A631 WeakPolarHBondContact O-CB 3.35Å; K627-A631 PolarHBondContact O-N 3.46Å; K627-I661 HydrophobicContact CD-CD1 4.36Å; K627-I661 HydrophobicContact CG-CD1 3.72Å
628A85.9Confident77.5Confident42 Ų4273.5 Ų73.535%0.34738%0.382SS..Hα-helixtrans-59.7-47.8177.600000111.3E624 H625 L626 I630 A631 E632E624-A628 PolarHBondContact O-N 2.79Å; H625-A628 PolarHBondContact O-N 2.8Å; L626-A628 VanDerWaalsContact C-N 3.35Å; A628-I630 VanDerWaalsContact C-N 3.34Å; A628-I630 PolarHBondContact O-N 3.32Å; A628-A631 PolarHBondContact O-N 2.91Å; A628-E632 WeakPolarHBondContact O-CB 3.23Å; A628-E632 WeakPolarHBondContact O-CG 3.19Å; A628-E632 PolarHBondContact O-N 2.92Å
629L85.2Confident76.9Confident2 Ų272.6 Ų72.61%0.0138%0.375CS..Hα-helixtrans-58.6-43.1175.7-78.2169.3000112.9R614 H625 L626 R633 V742 F744R614-L629 VanDerWaalsContact NH1-CG 3.3Å; R614-L629 VanDerWaalsContact NH2-CD2 3.26Å; H625-L629 WeakPolarHBondContact O-CG 3.43Å; H625-L629 PolarHBondContact O-N 2.97Å; L626-L629 PolarHBondContact O-N 3.47Å; L629-R633 WeakPolarHBondContact O-CD 3.27Å; L629-R633 WeakPolarHBondContact O-CG 3.44Å; L629-R633 PolarHBondContact O-N 3.15Å; L629-V742 HydrophobicContact CD1-CB 4.47Å; L629-V742 HydrophobicContact CD1-CG1 3.98Å; L629-V742 HydrophobicContact CD2-CG2 4.24Å; L629-F744 HydrophobicContact CD1-CE1 3.94Å; L629-F744 HydrophobicContact CD1-CZ 3.77Å
630I79.3Confident76.7Confident34 Ų3470.2 Ų70.217%0.17437%0.365CS..Hα-helixtrans-69.2-39.5178.9-67.4165.3000110.4L626 K627 A628 R633 R634 L658 V663L626-I630 HydrophobicContact CD1-CD1 3.76Å; L626-I630 HydrophobicContact CD1-CG1 4.08Å; L626-I630 HydrophobicContact CG-CD1 3.79Å; L626-I630 WeakPolarHBondContact O-CB 3.45Å; L626-I630 WeakPolarHBondContact O-CD1 3.37Å; L626-I630 WeakPolarHBondContact O-CG1 3.03Å; L626-I630 PolarHBondContact O-N 3.46Å; K627-I630 PolarHBondContact O-N 3.18Å; A628-I630 VanDerWaalsContact C-N 3.34Å; A628-I630 PolarHBondContact O-N 3.32Å; I630-R633 PolarHBondContact O-N 2.85Å; I630-R634 PolarHBondContact O-N 2.95Å; I630-L658 HydrophobicContact CD1-CD2 4.35Å; I630-V663 HydrophobicContact CD1-CG1 4.09Å; I630-V663 HydrophobicContact CD1-CG2 4.17Å; I630-V663 HydrophobicContact CG2-CG2 4.43Å
631A78.2Confident76.8Confident53 Ų5366 Ų6644%0.43834%0.338SS..Hα-helixtrans-66.8-45.8179.300000112.2K627 A628 R633 R634K627-A631 VanDerWaalsContact O-CB 3.26Å; K627-A631 WeakPolarHBondContact O-CB 3.35Å; K627-A631 PolarHBondContact O-N 3.46Å; A628-A631 PolarHBondContact O-N 2.91Å; A631-R633 PolarHBondContact O-N 3.29Å; A631-R634 PolarHBondContact O-N 2.98Å; A631-R634 VanDerWaalsContact O-N 3.12Å
632E75.8Confident77Confident104 Ų10462.2 Ų62.249%0.48632%0.321SS..Hα-helixtrans-54.2-37.2172.8-75.9168.6-168.800111.2A628 N635 F636A628-E632 WeakPolarHBondContact O-CB 3.23Å; A628-E632 WeakPolarHBondContact O-CG 3.19Å; A628-E632 PolarHBondContact O-N 2.92Å; E632-N635 WeakPolarHBondContact O-CB 3.38Å; E632-N635 PolarHBondContact O-N 2.88Å; E632-F636 WeakPolarHBondContact O-CD2 3.45Å
633R70.3Confident77.3Confident47 Ų4762.1 Ų62.118%0.17732%0.32CS..Hα-helixtrans-77.8-26.5179.7-69.6177.590.9-161165.3114.5L629 I630 A631 N635 F636 E639 P640L629-R633 WeakPolarHBondContact O-CD 3.27Å; L629-R633 WeakPolarHBondContact O-CG 3.44Å; L629-R633 PolarHBondContact O-N 3.15Å; I630-R633 PolarHBondContact O-N 2.85Å; A631-R633 PolarHBondContact O-N 3.29Å; R633-N635 PolarHBondContact O-N 3.45Å; R633-N635 VanDerWaalsContact O-N 3.11Å; R633-F636 CarbonylContact O-C 3.59Å; R633-F636 PolarHBondContact O-N 3.01Å; R633-E639 PolarHBondContact NH1-O 2.92Å; R633-P640 PolarHBondContact NH1-O 3.37Å
634R62.7Low77.7Confident178 Ų17861.1 Ų61.167%0.67232%0.315SS*.Hα-helixtrans-60.7-20.9173.1-74.9-178.8178.7-177.70.1112.3I630 A631 F636I630-R634 PolarHBondContact O-N 2.95Å; A631-R634 PolarHBondContact O-N 2.98Å; A631-R634 VanDerWaalsContact O-N 3.12Å; R634-F636 VanDerWaalsContact C-N 3.34Å
635N53.9Low78Confident134 Ų13456 Ų5672%0.71729%0.291SS*.THydrogen-bonded Turntrans-77.7-16.1174.9-60.8-25.6000113.5E632 R633E632-N635 WeakPolarHBondContact O-CB 3.38Å; E632-N635 PolarHBondContact O-N 2.88Å; R633-N635 PolarHBondContact O-N 3.45Å; R633-N635 VanDerWaalsContact O-N 3.11Å
636F52.4Low78.1Confident141 Ų14155.3 Ų55.362%0.61829%0.293SS*.SBendtrans-117.7103.6178.5-58.6-81.8000109E632 R633 R634E632-F636 WeakPolarHBondContact O-CD2 3.45Å; R633-F636 CarbonylContact O-C 3.59Å; R633-F636 PolarHBondContact O-N 3.01Å; R634-F636 VanDerWaalsContact C-N 3.34Å
637A51.4Low78.2Confident86 Ų8658.7 Ų58.771%0.71131%0.311SS*.THydrogen-bonded Turntrans-49.2135.1-168.800000115.5E639A637-E639 PolarHBondContact O-N 2.95Å
638N60.3Low78.6Confident110 Ų11058 Ų5859%0.58832%0.315SS*.THydrogen-bonded Turntrans57.537.4157.3-69.4-16.9000118.9
639E73.2Confident79Confident86 Ų8660.3 Ų60.340%0.40233%0.325SS..  trans-98.2122.4179.9-80.4-166.7-178.200114.1R633 A637 P685 P705R633-E639 PolarHBondContact NH1-O 2.92Å; A637-E639 PolarHBondContact O-N 2.95Å; E639-P685 CarbonylContact C-O 3.59Å; E639-P705 HydrophobicContact CB-CB 4.45Å; E639-P705 HydrophobicContact CB-CG 3.51Å; E639-P705 HydrophobicContact CG-CB 4.36Å; E639-P705 HydrophobicContact CG-CG 3.77Å; E639-P705 VanDerWaalsContact OE2-CB 3.27Å; E639-P705 WeakPolarHBondContact OE2-CB 3.45Å; E639-P705 WeakPolarHBondContact OE2-CG 3.47Å
640P82.4Confident79.3Confident21 Ų2161.7 Ų61.714%0.13633%0.332CS..  trans-69.3151.8-178.923.1-29.5000112.1R633 W680 P685 P705R633-P640 PolarHBondContact NH1-O 3.37Å; P640-W680 HydrophobicContact CB-CH2 3.74Å; P640-W680 HydrophobicContact CB-CZ2 3.41Å; P640-W680 VanDerWaalsContact CB-CZ2 3.41Å; P640-P685 VanDerWaalsContact CA-O 3.24Å; P640-P685 WeakPolarHBondContact CA-O 3.45Å; P640-P685 WeakPolarHBondContact CB-O 3.37Å; P640-P685 VanDerWaalsContact CD-O 3.3Å; P640-P685 WeakPolarHBondContact CD-O 3.34Å; P640-P705 VanDerWaalsContact O-CD 3.27Å; P640-P705 WeakPolarHBondContact O-CD 3.39Å; P640-P705 WeakPolarHBondContact O-CG 3.3Å
641A88.6Confident80.1Confident6 Ų660 Ų605%0.0532%0.323CS..EExtended strand (participates in β ladder)trans-129.7134.1179.200000110.6W680 G687 L688 L689A641-W680 WeakPolarHBondContact O-CZ2 3.37Å; A641-G687 PolarHBondContact N-O 2.89Å; A641-L688 HydrophobicContact CB-CD1 3.53Å; A641-L689 PolarHBondContact O-N 3.12Å
642V93.1Very high80.8Confident0 Ų061.9 Ų61.90%033%0.326CS..EExtended strand (participates in β ladder)trans-110.9132.3169-176.50000108.8V644 W680 L689 V691 C701 I704 L706 L707 I708 L725V642-V644 HydrophobicContact CG1-CG2 4.44Å; V642-W680 HydrophobicContact CG2-CH2 3.8Å; V642-W680 HydrophobicContact CG2-CZ2 4.44Å; V642-W680 HydrophobicContact CG2-CZ3 4.5Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; V642-V691 HydrophobicContact CG1-CG1 4.39Å; V642-V691 HydrophobicContact CG1-CG2 3.8Å; V642-C701 HydrophobicContact CG2-CB 4.39Å; V642-I704 HydrophobicContact CG2-CD1 4.38Å; V642-I704 HydrophobicContact CG2-CG2 3.87Å; V642-L706 PolarHBondContact N-O 3.41Å; V642-L706 VanDerWaalsContact N-O 3.16Å; V642-L707 HydrophobicContact CB-CD1 4.16Å; V642-L707 HydrophobicContact CG1-CD1 4.23Å; V642-L707 CarbonylContact O-C 3.33Å; V642-L707 WeakPolarHBondContact O-CA 3.41Å; V642-I708 PolarHBondContact O-N 3.3Å; V642-L725 HydrophobicContact CB-CD1 4.43Å; V642-L725 HydrophobicContact CG1-CD1 3.87Å
643M94.6Very high81.5Confident0 Ų061.6 Ų61.60%033%0.327CS..EExtended strand (participates in β ladder)trans-121.5125.8174.3178.3-175-66.300110L626 L654 L688 L689 L690 V691 I708 Y710L626-M643 HydrophobicContact CD1-CE 3.26Å; L626-M643 HydrophobicContact CD2-CE 3.63Å; L626-M643 HydrophobicContact CG-CE 4.08Å; M643-L654 HydrophobicContact SD-CD2 3.3Å; M643-L654 WeakPolarHBondContact SD-CD2 3.48Å; M643-L654 HydrophobicContact SD-CG 4.41Å; M643-L688 HydrophobicContact CB-CD1 3.9Å; M643-L688 HydrophobicContact CE-CD1 4.23Å; M643-L688 HydrophobicContact CE-CD2 3.83Å; M643-L688 HydrophobicContact SD-CD2 4.39Å; M643-L689 PolarHBondContact N-O 2.61Å; M643-L690 HydrophobicContact CB-CD2 3.9Å; M643-L690 HydrophobicContact CG-CD2 4.13Å; M643-L690 WeakPolarHBondContact O-CA 3.35Å; M643-L690 HydrophobicContact SD-CD2 3.58Å; M643-L690 VanDerWaalsContact SD-CD2 3.58Å; M643-V691 PolarHBondContact O-N 2.78Å; M643-I708 CarbonylContact C-O 3.59Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.47Å; M643-I708 HydrophobicContact CB-CB 4.12Å; M643-I708 HydrophobicContact CE-CB 4.16Å; M643-I708 HydrophobicContact CE-CD1 3.68Å; M643-I708 HydrophobicContact CE-CG2 3.99Å; M643-I708 HydrophobicContact CG-CB 4.05Å; M643-I708 HydrophobicContact CG-CG2 4.19Å; M643-Y710 HydrophobicContact SD-CD2 3.99Å; M643-Y710 HydrophobicContact SD-CG 4.34Å
644V96.4Very high82.6Confident0 Ų059.6 Ų59.60%032%0.32CS..EExtended strand (participates in β ladder)trans-104.5120.8-177.7-166.40000109.6V642 V691 V696 L707 I708 Y710 R722V642-V644 HydrophobicContact CG1-CG2 4.44Å; V644-V691 WeakPolarHBondContact CA-O 3.32Å; V644-V691 HydrophobicContact CB-CG2 4.24Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.77Å; V644-V696 HydrophobicContact CG1-CG2 4.36Å; V644-L707 HydrophobicContact CG2-CD1 3.73Å; V644-I708 PolarHBondContact N-O 3.46Å; V644-Y710 PolarHBondContact O-N 3.22Å; V644-Y710 VanDerWaalsContact O-N 3.09Å; V644-R722 HydrophobicContact CG1-CG 4.14Å; V644-R722 HydrophobicContact CG2-CG 4.34Å
645C94.6Very high83.9Confident0 Ų055.6 Ų55.60%030%0.304CS..EExtended strand (participates in β ladder)trans-100.3161.4172.2-61.80000110.3E650 V651 V691C645-E650 WeakPolarHBondContact CA-OE2 3.49Å; C645-E650 HydrophobicContact CB-CB 4.26Å; C645-E650 HydrophobicContact CB-CG 4.03Å; C645-E650 VanDerWaalsContact CB-OE2 3.29Å; C645-E650 WeakPolarHBondContact CB-OE2 3.32Å; C645-V651 HydrophobicContact CB-CG2 3.52Å; C645-V691 PolarHBondContact N-O 3.48Å
646S89.4Confident85.7Confident44 Ų4457.1 Ų57.131%0.30830%0.3SS..SBendtrans-69.2-36.6178.962.30000113.1E650S646-E650 WeakPolarHBondContact CB-OE2 3.27Å; S646-E650 PolarHBondContact N-OE2 2.63Å; S646-E650 PolarHBondContact OG-OE2 3.14Å
647N90.6Very high87.4Confident70 Ų7052.9 Ų52.937%0.37429%0.288SS..SBendtrans-153.9169.7-176.76465.7000112.6T649 E650 V651 T692N647-T649 VanDerWaalsContact C-N 3.33Å; N647-T649 PolarHBondContact O-N 3.02Å; N647-T649 WeakPolarHBondContact OD1-CA 3.33Å; N647-T649 WeakPolarHBondContact OD1-CB 3.42Å; N647-T649 PolarHBondContact OD1-N 3.1Å; N647-E650 PolarHBondContact O-N 3.42Å; N647-E650 PolarHBondContact OD1-N 3.36Å; N647-V651 WeakPolarHBondContact O-CG2 3.39Å; N647-V651 PolarHBondContact O-N 2.98Å; N647-T692 VanDerWaalsContact C-CG2 3.43Å
648S92.4Very high89.1Confident59 Ų5948.8 Ų48.841%0.41325%0.254SS..Hα-helixtrans-66.6-30.4-176.953.70000113.8V651 L652S648-V651 WeakPolarHBondContact O-CB 3.43Å; S648-V651 PolarHBondContact O-N 3.2Å; S648-L652 WeakPolarHBondContact O-CG 3.03Å; S648-L652 PolarHBondContact O-N 3.41Å; S648-L652 VanDerWaalsContact O-N 3.11Å
649T93.3Very high90.5Very high91 Ų9147.9 Ų47.956%0.55825%0.247SC*.Hα-helixtrans-65.9-45.2177.7-55.10000110.8N647 V651 L652 L653N647-T649 VanDerWaalsContact C-N 3.33Å; N647-T649 PolarHBondContact O-N 3.02Å; N647-T649 WeakPolarHBondContact OD1-CA 3.33Å; N647-T649 WeakPolarHBondContact OD1-CB 3.42Å; N647-T649 PolarHBondContact OD1-N 3.1Å; T649-V651 VanDerWaalsContact C-N 3.3Å; T649-V651 PolarHBondContact O-N 2.89Å; T649-L652 PolarHBondContact O-N 3.32Å; T649-L653 HydrophobicContact CG2-CD1 4.34Å; T649-L653 WeakPolarHBondContact O-CG 3.29Å; T649-L653 PolarHBondContact O-N 3.46Å
650E93Very high91.1Very high31 Ų3148 Ų4815%0.14526%0.262CS..Hα-helixtrans-59.5-41.5174.7-176.7175.3-130.400111.5C645 S646 N647 L652 L653 L654 Y710 S711C645-E650 WeakPolarHBondContact CA-OE2 3.49Å; C645-E650 HydrophobicContact CB-CB 4.26Å; C645-E650 HydrophobicContact CB-CG 4.03Å; C645-E650 VanDerWaalsContact CB-OE2 3.29Å; C645-E650 WeakPolarHBondContact CB-OE2 3.32Å; S646-E650 WeakPolarHBondContact CB-OE2 3.27Å; S646-E650 PolarHBondContact N-OE2 2.63Å; S646-E650 PolarHBondContact OG-OE2 3.14Å; N647-E650 PolarHBondContact O-N 3.42Å; N647-E650 PolarHBondContact OD1-N 3.36Å; E650-L652 PolarHBondContact O-N 2.98Å; E650-L653 PolarHBondContact O-N 2.81Å; E650-L654 VanDerWaalsContact O-CB 3.23Å; E650-L654 WeakPolarHBondContact O-CB 3.49Å; E650-L654 PolarHBondContact O-N 3.33Å; E650-Y710 HydrophobicContact CG-CD1 4.22Å; E650-Y710 HydrophobicContact CG-CE1 4.37Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.4Å; E650-S711 WeakPolarHBondContact OE1-CB 3.27Å; E650-S711 PolarHBondContact OE1-OG 2.62Å
651V94.6Very high91.1Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-58.7-45.2175.1171.70000111.9C645 N647 S648 T649 R655 I667 V669 L690 T692C645-V651 HydrophobicContact CB-CG2 3.52Å; N647-V651 WeakPolarHBondContact O-CG2 3.39Å; N647-V651 PolarHBondContact O-N 2.98Å; S648-V651 WeakPolarHBondContact O-CB 3.43Å; S648-V651 PolarHBondContact O-N 3.2Å; T649-V651 VanDerWaalsContact C-N 3.3Å; T649-V651 PolarHBondContact O-N 2.89Å; V651-R655 WeakPolarHBondContact O-CB 3.49Å; V651-R655 PolarHBondContact O-N 2.95Å; V651-I667 HydrophobicContact CG1-CB 4.43Å; V651-I667 HydrophobicContact CG1-CD1 3.8Å; V651-I667 HydrophobicContact CG1-CG1 3.96Å; V651-I667 HydrophobicContact CG1-CG2 3.71Å; V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.87Å; V651-V669 HydrophobicContact CG2-CG1 4.06Å; V651-L690 HydrophobicContact CG1-CB 3.75Å; V651-L690 HydrophobicContact CG1-CD1 4.18Å; V651-T692 HydrophobicContact CG2-CG2 3.95Å
652L92.8Very high90.8Very high92 Ų9252 Ų5248%0.48229%0.294SS..Hα-helixtrans-68-41.8-179.1-69.1174.3000112.5S648 T649 E650 R655 R656 I667S648-L652 WeakPolarHBondContact O-CG 3.03Å; S648-L652 PolarHBondContact O-N 3.41Å; S648-L652 VanDerWaalsContact O-N 3.11Å; T649-L652 PolarHBondContact O-N 3.32Å; E650-L652 PolarHBondContact O-N 2.98Å; L652-R655 PolarHBondContact O-N 3.3Å; L652-R656 WeakPolarHBondContact O-CG 3.5Å; L652-R656 PolarHBondContact O-N 3.49Å; L652-I667 HydrophobicContact CD2-CD1 4.3Å
653L92.1Very high90.2Very high98 Ų9852.8 Ų52.851%0.51330%0.298SS..Hα-helixtrans-63.5-47.2176.3-70.2174.1000110.8T649 E650 R655 R656 S657T649-L653 HydrophobicContact CG2-CD1 4.34Å; T649-L653 WeakPolarHBondContact O-CG 3.29Å; T649-L653 PolarHBondContact O-N 3.46Å; E650-L653 PolarHBondContact O-N 2.81Å; L653-R655 VanDerWaalsContact C-N 3.33Å; L653-R655 PolarHBondContact O-N 2.94Å; L653-R656 WeakPolarHBondContact O-CB 3.39Å; L653-R656 PolarHBondContact O-N 3.46Å; L653-R656 VanDerWaalsContact O-N 3.16Å; L653-S657 PolarHBondContact O-N 3.36Å; L653-S657 VanDerWaalsContact O-N 3.08Å; L653-S657 PolarHBondContact O-OG 3.09Å
654L91.9Very high89.6Confident5 Ų558.6 Ų58.63%0.02633%0.33CS..Hα-helixtrans-63.9-38.4179.4-174.655.2000112.2I623 L626 M643 E650 R656 S657 L658 L690 Y710I623-L654 HydrophobicContact CD1-CD1 3.53Å; L626-L654 HydrophobicContact CD2-CD1 4.28Å; M643-L654 HydrophobicContact SD-CD2 3.3Å; M643-L654 WeakPolarHBondContact SD-CD2 3.48Å; M643-L654 HydrophobicContact SD-CG 4.41Å; E650-L654 VanDerWaalsContact O-CB 3.23Å; E650-L654 WeakPolarHBondContact O-CB 3.49Å; E650-L654 PolarHBondContact O-N 3.33Å; L654-R656 VanDerWaalsContact C-N 3.3Å; L654-R656 PolarHBondContact O-N 2.85Å; L654-S657 PolarHBondContact O-N 2.87Å; L654-L658 HydrophobicContact CD1-CD1 4.41Å; L654-L658 HydrophobicContact CD1-CG 4.2Å; L654-L658 HydrophobicContact CG-CD1 4.05Å; L654-L658 HydrophobicContact CG-CG 4.33Å; L654-L658 WeakPolarHBondContact O-CB 3.48Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.38Å; L654-L658 PolarHBondContact O-N 3.12Å; L654-L690 HydrophobicContact CD2-CD2 4.3Å; L654-Y710 HydrophobicContact CD1-CD2 4.38Å; L654-Y710 HydrophobicContact CD1-CE2 3.73Å; L654-Y710 HydrophobicContact CD2-CD1 4.15Å; L654-Y710 HydrophobicContact CD2-CD2 3.61Å; L654-Y710 HydrophobicContact CD2-CE1 4.32Å; L654-Y710 HydrophobicContact CD2-CE2 3.78Å; L654-Y710 HydrophobicContact CD2-CG 3.8Å; L654-Y710 HydrophobicContact CG-CE2 4.43Å
655R91.3Very high89.1Confident93 Ų9358.9 Ų58.935%0.35133%0.332SS..Hα-helixtrans-56.6-44.1173.8-166.3-149-173.4131.1-2.3111.6V651 L652 L653 L658 Q659 I667 L690V651-R655 WeakPolarHBondContact O-CB 3.49Å; V651-R655 PolarHBondContact O-N 2.95Å; L652-R655 PolarHBondContact O-N 3.3Å; L653-R655 VanDerWaalsContact C-N 3.33Å; L653-R655 PolarHBondContact O-N 2.94Å; R655-L658 PolarHBondContact O-N 3.06Å; R655-Q659 WeakPolarHBondContact O-CB 3.26Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.41Å; R655-Q659 PolarHBondContact O-N 3.28Å; R655-I667 HydrophobicContact CB-CD1 3.96Å; R655-I667 HydrophobicContact CG-CD1 3.85Å; R655-I667 HydrophobicContact CG-CG1 4.46Å; R655-L690 HydrophobicContact CB-CD1 4.04Å
656R91.1Very high88.9Confident167 Ų16760.4 Ų60.463%0.6334%0.339SS*.Hα-helixtrans-64.6-45178.1-67.3175.7-173170.12111.3L652 L653 L654 L658 Q659 A660L652-R656 WeakPolarHBondContact O-CG 3.5Å; L652-R656 PolarHBondContact O-N 3.49Å; L653-R656 WeakPolarHBondContact O-CB 3.39Å; L653-R656 PolarHBondContact O-N 3.46Å; L653-R656 VanDerWaalsContact O-N 3.16Å; L654-R656 VanDerWaalsContact C-N 3.3Å; L654-R656 PolarHBondContact O-N 2.85Å; R656-L658 VanDerWaalsContact C-N 3.31Å; R656-L658 PolarHBondContact O-N 3Å; R656-Q659 PolarHBondContact O-N 3.1Å; R656-A660 PolarHBondContact O-N 3.18Å
657S89Confident89.1Confident52 Ų5259.1 Ų59.136%0.36433%0.328SS..Hα-helixtrans-61.3-40.6177-59.10000112L653 L654 A660 I661L653-S657 PolarHBondContact O-N 3.36Å; L653-S657 VanDerWaalsContact O-N 3.08Å; L653-S657 PolarHBondContact O-OG 3.09Å; L654-S657 PolarHBondContact O-N 2.87Å; S657-A660 PolarHBondContact O-N 2.84Å; S657-I661 WeakPolarHBondContact O-CG1 3.41Å; S657-I661 PolarHBondContact O-N 3.36Å
658L87.3Confident89.1Confident0 Ų055.8 Ų55.80%031%0.31CS..Hα-helixtrans-67-42.1176.2-74.7174.9000112.5L626 I630 L654 R655 R656 A660 I661 G662 V663 A665 L688 L690L626-L658 HydrophobicContact CD2-CD2 3.67Å; L626-L658 HydrophobicContact CD2-CG 4.49Å; L626-L658 HydrophobicContact CG-CD2 4.35Å; I630-L658 HydrophobicContact CD1-CD2 4.35Å; L654-L658 HydrophobicContact CD1-CD1 4.41Å; L654-L658 HydrophobicContact CD1-CG 4.2Å; L654-L658 HydrophobicContact CG-CD1 4.05Å; L654-L658 HydrophobicContact CG-CG 4.33Å; L654-L658 WeakPolarHBondContact O-CB 3.48Å; L654-L658 VanDerWaalsContact O-CG 3.27Å; L654-L658 WeakPolarHBondContact O-CG 3.38Å; L654-L658 PolarHBondContact O-N 3.12Å; R655-L658 PolarHBondContact O-N 3.06Å; R656-L658 VanDerWaalsContact C-N 3.31Å; R656-L658 PolarHBondContact O-N 3Å; L658-A660 VanDerWaalsContact C-N 3.33Å; L658-A660 PolarHBondContact O-N 3.15Å; L658-I661 HydrophobicContact CD2-CD1 3.97Å; L658-I661 CarbonylContact O-C 3.48Å; L658-I661 WeakPolarHBondContact O-CG1 3.39Å; L658-I661 PolarHBondContact O-N 3.43Å; L658-G662 PolarHBondContact O-N 2.81Å; L658-V663 CarbonylContact C-O 3.24Å; L658-V663 VanDerWaalsContact C-O 3.28Å; L658-V663 HydrophobicContact CB-CB 4.24Å; L658-V663 HydrophobicContact CD2-CB 4.15Å; L658-V663 HydrophobicContact CD2-CG1 4.15Å; L658-V663 PolarHBondContact O-N 2.9Å; L658-A665 HydrophobicContact CD1-CB 4.07Å; L658-L688 HydrophobicContact CD1-CD2 3.57Å; L658-L690 HydrophobicContact CD1-CD1 4.27Å; L658-L690 HydrophobicContact CD1-CD2 4.19Å
659Q88Confident89Confident91 Ų9155 Ų5543%0.42530%0.303SS..Hα-helixtrans-62.7-40.5175.7-76.9174.5-29.600111.8R655 R656 I661 G662R655-Q659 WeakPolarHBondContact O-CB 3.26Å; R655-Q659 VanDerWaalsContact O-CG 3.27Å; R655-Q659 WeakPolarHBondContact O-CG 3.41Å; R655-Q659 PolarHBondContact O-N 3.28Å; R656-Q659 PolarHBondContact O-N 3.1Å; Q659-I661 PolarHBondContact O-N 3.13Å; Q659-G662 PolarHBondContact O-N 3.43Å
660A87.4Confident88.9Confident88 Ų8853 Ų5373%0.72729%0.293SS*.Hα-helixtrans-61.1-25.4177.100000113.1R656 S657 L658R656-A660 PolarHBondContact O-N 3.18Å; S657-A660 PolarHBondContact O-N 2.84Å; L658-A660 VanDerWaalsContact C-N 3.33Å; L658-A660 PolarHBondContact O-N 3.15Å
661I81.6Confident88.4Confident57 Ų5756.5 Ų56.529%0.29231%0.309SS..THydrogen-bonded Turntrans-101.713.7177.566.2170.4000112.7I623 K627 S657 L658 Q659 V663I623-I661 HydrophobicContact CG2-CD1 4.36Å; K627-I661 HydrophobicContact CD-CD1 4.36Å; K627-I661 HydrophobicContact CG-CD1 3.72Å; S657-I661 WeakPolarHBondContact O-CG1 3.41Å; S657-I661 PolarHBondContact O-N 3.36Å; L658-I661 HydrophobicContact CD2-CD1 3.97Å; L658-I661 CarbonylContact O-C 3.48Å; L658-I661 WeakPolarHBondContact O-CG1 3.39Å; L658-I661 PolarHBondContact O-N 3.43Å; Q659-I661 PolarHBondContact O-N 3.13Å; I661-V663 HydrophobicContact CD1-CG2 4.22Å; I661-V663 HydrophobicContact CG1-CB 4.44Å; I661-V663 HydrophobicContact CG1-CG2 4.11Å
662G81.4Confident88Confident54 Ų5460.7 Ų60.756%0.55734%0.344SS*.THydrogen-bonded Turntrans74.823175.800000114.8L658 Q659L658-G662 PolarHBondContact O-N 2.81Å; Q659-G662 PolarHBondContact O-N 3.43Å
663V81.3Confident87.7Confident17 Ų1757.7 Ų57.710%0.10333%0.33CS..  trans-105.8115.1175.2178.20000109.5I630 L658 I661I630-V663 HydrophobicContact CD1-CG1 4.09Å; I630-V663 HydrophobicContact CD1-CG2 4.17Å; I630-V663 HydrophobicContact CG2-CG2 4.43Å; L658-V663 CarbonylContact C-O 3.24Å; L658-V663 VanDerWaalsContact C-O 3.28Å; L658-V663 HydrophobicContact CB-CB 4.24Å; L658-V663 HydrophobicContact CD2-CB 4.15Å; L658-V663 HydrophobicContact CD2-CG1 4.15Å; L658-V663 PolarHBondContact O-N 2.9Å; I661-V663 HydrophobicContact CD1-CG2 4.22Å; I661-V663 HydrophobicContact CG1-CB 4.44Å; I661-V663 HydrophobicContact CG1-CG2 4.11Å
664N81.1Confident87.4Confident122 Ų12256.1 Ų56.165%0.65232%0.318SS*.  trans-80.9130.1172.9-72.2-31.4000110.5
665A87.3Confident87Confident6 Ų659.7 Ų59.75%0.0534%0.344CS..EExtended strand (participates in β ladder)trans-130.3133.9177.700000111.2L658 L688 L690L658-A665 HydrophobicContact CD1-CB 4.07Å; A665-L688 CarbonylContact C-O 3.4Å; A665-L688 VanDerWaalsContact CA-O 3.27Å; A665-L688 WeakPolarHBondContact CA-O 3.41Å; A665-L688 HydrophobicContact CB-CB 4.11Å; A665-L688 HydrophobicContact CB-CD2 4.28Å; A665-L688 HydrophobicContact CB-CG 4.38Å; A665-L690 HydrophobicContact CB-CD1 3.99Å; A665-L690 HydrophobicContact CB-CG 3.95Å
666H90.1Very high86.7Confident31 Ų3157.5 Ų57.514%0.14434%0.339CS..EExtended strand (participates in β ladder)trans-82.6157.6170.4-70.9-101.8000110W680 L688 L689 L690H666-W680 HydrophobicContact CB-CB 3.93Å; H666-W680 HydrophobicContact CB-CG 4.27Å; H666-W680 AromaticContact CD2-CD1 3.76Å; H666-L688 PolarHBondContact N-O 2.82Å; H666-L689 HydrophobicContact CB-CD1 3.88Å; H666-L690 PolarHBondContact O-N 3.12Å
667I92.6Very high86.5Confident17 Ų1749.9 Ų49.99%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-127.7135.7-176.5-64.4-175.6000110.5V651 L652 R655 V669 N676 L690V651-I667 HydrophobicContact CG1-CB 4.43Å; V651-I667 HydrophobicContact CG1-CD1 3.8Å; V651-I667 HydrophobicContact CG1-CG1 3.96Å; V651-I667 HydrophobicContact CG1-CG2 3.71Å; L652-I667 HydrophobicContact CD2-CD1 4.3Å; R655-I667 HydrophobicContact CB-CD1 3.96Å; R655-I667 HydrophobicContact CG-CD1 3.85Å; R655-I667 HydrophobicContact CG-CG1 4.46Å; I667-V669 HydrophobicContact CG2-CG1 3.66Å; I667-V669 HydrophobicContact CG2-CG2 4.43Å; I667-N676 WeakPolarHBondContact O-CB 3.34Å; I667-N676 PolarHBondContact O-ND2 3.43Å; I667-L690 WeakPolarHBondContact CA-O 3.46Å; I667-L690 HydrophobicContact CG1-CB 4.35Å; I667-L690 HydrophobicContact CG1-CD1 4.39Å
668C92Very high86.2Confident0 Ų050.4 Ų50.40%032%0.318CS..EExtended strand (participates in β ladder)trans-13899.3166.1-179.50000110.1C673 V677 L689 L690 V691 V695C668-C673 HydrophobicContact CB-CB 4.32Å; C668-V677 HydrophobicContact CB-CG2 4.13Å; C668-L689 HydrophobicContact CB-CD1 4.25Å; C668-L690 PolarHBondContact N-O 3.14Å; C668-V691 HydrophobicContact CB-CG1 4.13Å; C668-V691 WeakPolarHBondContact O-CA 3.4Å; C668-V695 VanDerWaalsContact O-CG2 3.3Å; C668-V695 WeakPolarHBondContact O-CG2 3.42Å
669V90.7Very high86Confident42 Ų4253.5 Ų53.526%0.25533%0.333SS..  trans-109.2-9.4-178.5-63.90000114V651 I667 T692V651-V669 HydrophobicContact CB-CG1 4.09Å; V651-V669 HydrophobicContact CG1-CG1 3.87Å; V651-V669 HydrophobicContact CG2-CG1 4.06Å; I667-V669 HydrophobicContact CG2-CG1 3.66Å; I667-V669 HydrophobicContact CG2-CG2 4.43Å; V669-T692 HydrophobicContact CB-CG2 4.37Å; V669-T692 HydrophobicContact CG1-CG2 4.04Å; V669-T692 PolarHBondContact O-OG1 3.4Å
670S89.5Confident85.9Confident49 Ų4949.2 Ų49.234%0.34331%0.312SS..SBendtrans-148.1166.317769.70000110.7A672 C673S670-A672 PolarHBondContact O-N 3.12Å; S670-C673 WeakPolarHBondContact O-CB 3.37Å; S670-C673 PolarHBondContact O-N 3.42Å
671E84.2Confident85.6Confident106 Ų10648.5 Ų48.550%0.49530%0.296SS..G310 helixtrans-59.8-31178.4-58.7-162.7153.100112.5C673 Y674 R698E671-C673 PolarHBondContact O-N 3.39Å; E671-C673 VanDerWaalsContact O-N 3.13Å; E671-Y674 HydrophobicContact CB-CD2 4Å; E671-Y674 HydrophobicContact CB-CE2 3.59Å; E671-Y674 HydrophobicContact CG-CE2 3.66Å; E671-Y674 WeakPolarHBondContact O-CB 3.48Å; E671-Y674 VanDerWaalsContact O-CD2 3.22Å; E671-Y674 WeakPolarHBondContact O-CD2 3.42Å; E671-Y674 VanDerWaalsContact O-CG 3.31Å; E671-Y674 PolarHBondContact O-N 3.28Å; E671-Y674 VanDerWaalsContact O-N 3.09Å; E671-R698 VanDerWaalsContact OE1-CD 3.29Å; E671-R698 WeakPolarHBondContact OE1-CD 3.46Å; E671-R698 IonicContact OE1-CZ 3.21Å; E671-R698 IonicContact OE1-NE 3.48Å; E671-R698 IonicContact OE1-NH1 3.9Å; E671-R698 PolarHBondContact OE1-NH1 3Å; E671-R698 IonicContact OE2-NH1 2.94Å
672A84.9Confident85.5Confident88 Ų8853.9 Ų53.973%0.72731%0.313SS*.G310 helixtrans-61.2-21.417500000112.9S670S670-A672 PolarHBondContact O-N 3.12Å
673C86Confident85Confident29 Ų2956 Ų5620%0.19631%0.308CS..G310 helixtrans-93.47.7178.9-58.70000113.6C668 S670 E671 S675 N676C668-C673 HydrophobicContact CB-CB 4.32Å; S670-C673 WeakPolarHBondContact O-CB 3.37Å; S670-C673 PolarHBondContact O-N 3.42Å; E671-C673 PolarHBondContact O-N 3.39Å; E671-C673 VanDerWaalsContact O-N 3.13Å; C673-S675 PolarHBondContact O-N 3.21Å; C673-N676 WeakPolarHBondContact O-CB 3.46Å; C673-N676 PolarHBondContact O-N 3.34Å
674Y86.5Confident84.3Confident64 Ų6457 Ų5725%0.25132%0.316SS..THydrogen-bonded Turntrans-62.3-26.5-179.3-73.9-31.4000113.9E671 N676 V677 V695 R698 L699E671-Y674 HydrophobicContact CB-CD2 4Å; E671-Y674 HydrophobicContact CB-CE2 3.59Å; E671-Y674 HydrophobicContact CG-CE2 3.66Å; E671-Y674 WeakPolarHBondContact O-CB 3.48Å; E671-Y674 VanDerWaalsContact O-CD2 3.22Å; E671-Y674 WeakPolarHBondContact O-CD2 3.42Å; E671-Y674 VanDerWaalsContact O-CG 3.31Å; E671-Y674 PolarHBondContact O-N 3.28Å; E671-Y674 VanDerWaalsContact O-N 3.09Å; Y674-N676 PolarHBondContact O-N 3.22Å; Y674-V677 WeakPolarHBondContact O-CB 3.4Å; Y674-V677 PolarHBondContact O-N 2.98Å; Y674-V677 VanDerWaalsContact O-N 3.1Å; Y674-V695 HydrophobicContact CE1-CB 4.07Å; Y674-V695 HydrophobicContact CE1-CG1 4.31Å; Y674-V695 PolarHBondContact OH-O 3.31Å; Y674-R698 VanDerWaalsContact OH-CB 3.26Å; Y674-R698 WeakPolarHBondContact OH-CB 3.42Å; Y674-L699 HydrophobicContact CD1-CD1 4.13Å; Y674-L699 HydrophobicContact CE1-CD1 3.97Å
675S84Confident83.4Confident81 Ų8154 Ų5457%0.56630%0.303SS*.Hα-helixtrans-57-32.5170.551.80000112.7C673 V677 A678 E679C673-S675 PolarHBondContact O-N 3.21Å; S675-V677 PolarHBondContact O-N 3.01Å; S675-A678 PolarHBondContact O-N 3.28Å; S675-E679 PolarHBondContact O-N 3.38Å
676N84.5Confident82.3Confident46 Ų4657.1 Ų57.125%0.24633%0.325CS..Hα-helixtrans-67.4-23.6-179.8-58.3-3.6000112.1I667 C673 Y674 W680I667-N676 WeakPolarHBondContact O-CB 3.34Å; I667-N676 PolarHBondContact O-ND2 3.43Å; C673-N676 WeakPolarHBondContact O-CB 3.46Å; C673-N676 PolarHBondContact O-N 3.34Å; Y674-N676 PolarHBondContact O-N 3.22Å; N676-W680 VanDerWaalsContact O-CB 3.23Å; N676-W680 WeakPolarHBondContact O-CB 3.48Å; N676-W680 PolarHBondContact O-N 2.99Å
677V86.7Confident81.8Confident8 Ų856.1 Ų56.15%0.04832%0.322CS..Hα-helixtrans-71.1-44.3175.7-175.10000110.1C668 Y674 S675 E679 W680 L681 L689 L699C668-V677 HydrophobicContact CB-CG2 4.13Å; Y674-V677 WeakPolarHBondContact O-CB 3.4Å; Y674-V677 PolarHBondContact O-N 2.98Å; Y674-V677 VanDerWaalsContact O-N 3.1Å; S675-V677 PolarHBondContact O-N 3.01Å; V677-E679 VanDerWaalsContact C-N 3.28Å; V677-E679 PolarHBondContact O-N 3.01Å; V677-W680 HydrophobicContact CG1-CE3 4.08Å; V677-W680 HydrophobicContact CG1-CZ3 4.4Å; V677-W680 PolarHBondContact O-N 3.31Å; V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CG 3.34Å; V677-L681 PolarHBondContact O-N 3.04Å; V677-L689 HydrophobicContact CG1-CD2 4.44Å; V677-L689 HydrophobicContact CG2-CD2 4.27Å; V677-L699 HydrophobicContact CG2-CD1 3.66Å
678A82.9Confident81.5Confident62 Ų6255.8 Ų55.851%0.51232%0.321SS..Hα-helixtrans-65.8-34.2175.600000111.7S675 R682S675-A678 PolarHBondContact O-N 3.28Å; A678-R682 VanDerWaalsContact O-CB 3.31Å; A678-R682 WeakPolarHBondContact O-CB 3.25Å; A678-R682 PolarHBondContact O-N 3.5Å
679E82.8Confident81.6Confident66 Ų6655.8 Ų55.831%0.30832%0.321SS..Hα-helixtrans-68-47173-172.4171.1-146.300112.5S675 V677 L681 R682 Q683S675-E679 PolarHBondContact O-N 3.38Å; V677-E679 VanDerWaalsContact C-N 3.28Å; V677-E679 PolarHBondContact O-N 3.01Å; E679-L681 PolarHBondContact O-N 3.21Å; E679-R682 PolarHBondContact O-N 3.22Å; E679-R682 VanDerWaalsContact O-N 3.07Å; E679-Q683 HydrophobicContact CG-CG 4.07Å; E679-Q683 WeakPolarHBondContact O-CB 3.23Å; E679-Q683 PolarHBondContact O-N 3.35Å; E679-Q683 PolarHBondContact OE1-NE2 3.31Å; E679-Q683 PolarHBondContact OE1-OE1 3.3Å
680W86.9Confident81.7Confident0 Ų053.8 Ų53.80%031%0.308CS..Hα-helixtrans-54.8-49.4175165.558.9000112P640 A641 V642 H666 N676 V677 R682 S684 G687 L689 C701 I704P640-W680 HydrophobicContact CB-CH2 3.74Å; P640-W680 HydrophobicContact CB-CZ2 3.41Å; P640-W680 VanDerWaalsContact CB-CZ2 3.41Å; A641-W680 WeakPolarHBondContact O-CZ2 3.37Å; V642-W680 HydrophobicContact CG2-CH2 3.8Å; V642-W680 HydrophobicContact CG2-CZ2 4.44Å; V642-W680 HydrophobicContact CG2-CZ3 4.5Å; H666-W680 HydrophobicContact CB-CB 3.93Å; H666-W680 HydrophobicContact CB-CG 4.27Å; H666-W680 AromaticContact CD2-CD1 3.76Å; N676-W680 VanDerWaalsContact O-CB 3.23Å; N676-W680 WeakPolarHBondContact O-CB 3.48Å; N676-W680 PolarHBondContact O-N 2.99Å; V677-W680 HydrophobicContact CG1-CE3 4.08Å; V677-W680 HydrophobicContact CG1-CZ3 4.4Å; V677-W680 PolarHBondContact O-N 3.31Å; W680-R682 PolarHBondContact O-N 2.86Å; W680-S684 CarbonylContact O-C 3.57Å; W680-S684 VanDerWaalsContact O-C 3.24Å; W680-S684 PolarHBondContact O-N 3.18Å; W680-G687 VanDerWaalsContact NE1-C 3.27Å; W680-G687 PolarHBondContact NE1-O 3.18Å; W680-L689 HydrophobicContact CD2-CB 3.77Å; W680-L689 HydrophobicContact CD2-CD1 4.44Å; W680-L689 HydrophobicContact CD2-CD2 4.28Å; W680-L689 HydrophobicContact CD2-CG 4.37Å; W680-L689 HydrophobicContact CE3-CB 4.09Å; W680-L689 HydrophobicContact CE3-CD2 3.77Å; W680-L689 HydrophobicContact CE3-CG 4.35Å; W680-L689 HydrophobicContact CG-CB 4.26Å; W680-L689 HydrophobicContact CG-CD1 4.43Å; W680-L689 HydrophobicContact CH2-CB 4.14Å; W680-L689 HydrophobicContact CH2-CD2 4.34Å; W680-L689 HydrophobicContact CZ2-CB 3.82Å; W680-L689 HydrophobicContact CZ3-CB 4.27Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; W680-C701 HydrophobicContact CH2-CB 4.46Å; W680-C701 HydrophobicContact CZ3-CB 4.08Å; W680-I704 HydrophobicContact CH2-CG2 4.44Å
681L81.4Confident82Confident74 Ų7451.4 Ų51.439%0.38729%0.292SS..Hα-helixtrans-61.4-29.5177.9-71.9171.3000113.2V677 E679V677-L681 HydrophobicContact CG1-CD1 4.38Å; V677-L681 WeakPolarHBondContact O-CG 3.34Å; V677-L681 PolarHBondContact O-N 3.04Å; E679-L681 PolarHBondContact O-N 3.21Å
682R79.1Confident82.5Confident169 Ų16946.4 Ų46.464%0.63827%0.269SS*.Hα-helixtrans-89.8-41.7-176.5174.8171.637.888.14.5113.5A678 E679 W680A678-R682 VanDerWaalsContact O-CB 3.31Å; A678-R682 WeakPolarHBondContact O-CB 3.25Å; A678-R682 PolarHBondContact O-N 3.5Å; E679-R682 PolarHBondContact O-N 3.22Å; E679-R682 VanDerWaalsContact O-N 3.07Å; W680-R682 PolarHBondContact O-N 2.86Å
683Q71.4Confident82.9Confident100 Ų10042.5 Ų42.547%0.46724%0.236SC..Hα-helixtrans-95.4-23.7-171.7-70.7176.2-4.100113.4E679E679-Q683 HydrophobicContact CG-CG 4.07Å; E679-Q683 WeakPolarHBondContact O-CB 3.23Å; E679-Q683 PolarHBondContact O-N 3.35Å; E679-Q683 PolarHBondContact OE1-NE2 3.31Å; E679-Q683 PolarHBondContact OE1-OE1 3.3Å
684S66.5Low83.2Confident37 Ų3746.2 Ų46.226%0.25925%0.254SS..  trans-150.473.5-175.3-68.80000110W680 S686 G687W680-S684 CarbonylContact O-C 3.57Å; W680-S684 VanDerWaalsContact O-C 3.24Å; W680-S684 PolarHBondContact O-N 3.18Å; S684-S686 PolarHBondContact O-N 2.66Å; S684-G687 WeakPolarHBondContact O-CA 3.37Å; S684-G687 PolarHBondContact O-N 2.82Å
685P60.6Low83.4Confident58 Ų5843.3 Ų43.338%0.37724%0.242SC..THydrogen-bonded Turntrans-61.2-21.8177.422.4-31.2000113.3E639 P640E639-P685 CarbonylContact C-O 3.59Å; P640-P685 VanDerWaalsContact CA-O 3.24Å; P640-P685 WeakPolarHBondContact CA-O 3.45Å; P640-P685 WeakPolarHBondContact CB-O 3.37Å; P640-P685 VanDerWaalsContact CD-O 3.3Å; P640-P685 WeakPolarHBondContact CD-O 3.34Å
686S65.9Low83.8Confident73 Ų7339.5 Ų39.551%0.5122%0.216SC..THydrogen-bonded Turntrans-90.83168.345.30000114.5S684S684-S686 PolarHBondContact O-N 2.66Å
687G77.8Confident83.8Confident9 Ų941.3 Ų41.39%0.09323%0.23CC..  trans-79.3161.1-171.500000113.3A641 W680 S684A641-G687 PolarHBondContact N-O 2.89Å; W680-G687 VanDerWaalsContact NE1-C 3.27Å; W680-G687 PolarHBondContact NE1-O 3.18Å; S684-G687 WeakPolarHBondContact O-CA 3.37Å; S684-G687 PolarHBondContact O-N 2.82Å
688L87.9Confident83.7Confident10 Ų1048.8 Ų48.85%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-92.6131.4174.2-174.764.7000110.7A641 M643 L658 A665 H666 L690A641-L688 HydrophobicContact CB-CD1 3.53Å; M643-L688 HydrophobicContact CB-CD1 3.9Å; M643-L688 HydrophobicContact CE-CD1 4.23Å; M643-L688 HydrophobicContact CE-CD2 3.83Å; M643-L688 HydrophobicContact SD-CD2 4.39Å; L658-L688 HydrophobicContact CD1-CD2 3.57Å; A665-L688 CarbonylContact C-O 3.4Å; A665-L688 VanDerWaalsContact CA-O 3.27Å; A665-L688 WeakPolarHBondContact CA-O 3.41Å; A665-L688 HydrophobicContact CB-CB 4.11Å; A665-L688 HydrophobicContact CB-CD2 4.28Å; A665-L688 HydrophobicContact CB-CG 4.38Å; H666-L688 PolarHBondContact N-O 2.82Å; L688-L690 HydrophobicContact CD2-CD2 3.75Å; L688-L690 HydrophobicContact CG-CD2 3.99Å
689L92.4Very high84Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-105.4117.5169.5-17869.8000110A641 V642 M643 H666 C668 V677 W680 V691 L699A641-L689 PolarHBondContact O-N 3.12Å; V642-L689 HydrophobicContact CG2-CD2 4.47Å; M643-L689 PolarHBondContact N-O 2.61Å; H666-L689 HydrophobicContact CB-CD1 3.88Å; C668-L689 HydrophobicContact CB-CD1 4.25Å; V677-L689 HydrophobicContact CG1-CD2 4.44Å; V677-L689 HydrophobicContact CG2-CD2 4.27Å; W680-L689 HydrophobicContact CD2-CB 3.77Å; W680-L689 HydrophobicContact CD2-CD1 4.44Å; W680-L689 HydrophobicContact CD2-CD2 4.28Å; W680-L689 HydrophobicContact CD2-CG 4.37Å; W680-L689 HydrophobicContact CE3-CB 4.09Å; W680-L689 HydrophobicContact CE3-CD2 3.77Å; W680-L689 HydrophobicContact CE3-CG 4.35Å; W680-L689 HydrophobicContact CG-CB 4.26Å; W680-L689 HydrophobicContact CG-CD1 4.43Å; W680-L689 HydrophobicContact CH2-CB 4.14Å; W680-L689 HydrophobicContact CH2-CD2 4.34Å; W680-L689 HydrophobicContact CZ2-CB 3.82Å; W680-L689 HydrophobicContact CZ3-CB 4.27Å; W680-L689 HydrophobicContact CZ3-CD2 3.81Å; L689-V691 HydrophobicContact CD1-CG1 4.49Å; L689-V691 HydrophobicContact CD2-CG1 3.81Å; L689-V691 HydrophobicContact CG-CG1 3.72Å; L689-L699 HydrophobicContact CD2-CD2 4.36Å
690L94.4Very high84Confident0 Ų052.2 Ų52.20%026%0.26CS..EExtended strand (participates in β ladder)trans-90.8127.4173.4-53.6179.2000110.2M643 V651 L654 R655 L658 A665 H666 I667 C668 L688M643-L690 HydrophobicContact CB-CD2 3.9Å; M643-L690 HydrophobicContact CG-CD2 4.13Å; M643-L690 WeakPolarHBondContact O-CA 3.35Å; M643-L690 HydrophobicContact SD-CD2 3.58Å; M643-L690 VanDerWaalsContact SD-CD2 3.58Å; V651-L690 HydrophobicContact CG1-CB 3.75Å; V651-L690 HydrophobicContact CG1-CD1 4.18Å; L654-L690 HydrophobicContact CD2-CD2 4.3Å; R655-L690 HydrophobicContact CB-CD1 4.04Å; L658-L690 HydrophobicContact CD1-CD1 4.27Å; L658-L690 HydrophobicContact CD1-CD2 4.19Å; A665-L690 HydrophobicContact CB-CD1 3.99Å; A665-L690 HydrophobicContact CB-CG 3.95Å; H666-L690 PolarHBondContact O-N 3.12Å; I667-L690 WeakPolarHBondContact CA-O 3.46Å; I667-L690 HydrophobicContact CG1-CB 4.35Å; I667-L690 HydrophobicContact CG1-CD1 4.39Å; C668-L690 PolarHBondContact N-O 3.14Å; L688-L690 HydrophobicContact CD2-CD2 3.75Å; L688-L690 HydrophobicContact CG-CD2 3.99Å
691V95.8Very high83.8Confident0 Ų052.5 Ų52.50%026%0.262CS..EExtended strand (participates in β ladder)trans-136.6165.4-178.8-54.70000112.4V642 M643 V644 C645 C668 L689 V695 V696 L699V642-V691 HydrophobicContact CG1-CG1 4.39Å; V642-V691 HydrophobicContact CG1-CG2 3.8Å; M643-V691 PolarHBondContact O-N 2.78Å; V644-V691 WeakPolarHBondContact CA-O 3.32Å; V644-V691 HydrophobicContact CB-CG2 4.24Å; V644-V691 HydrophobicContact CG1-CG2 4.23Å; V644-V691 HydrophobicContact CG2-CG2 3.77Å; C645-V691 PolarHBondContact N-O 3.48Å; C668-V691 HydrophobicContact CB-CG1 4.13Å; C668-V691 WeakPolarHBondContact O-CA 3.4Å; L689-V691 HydrophobicContact CD1-CG1 4.49Å; L689-V691 HydrophobicContact CD2-CG1 3.81Å; L689-V691 HydrophobicContact CG-CG1 3.72Å; V691-V695 HydrophobicContact CB-CG2 3.76Å; V691-V695 HydrophobicContact CG1-CG2 4.26Å; V691-V696 HydrophobicContact CG2-CG2 4.36Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.46Å
692T94.9Very high83.9Confident1 Ų150.9 Ų50.91%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-108.1164.2168.457.30000110.8N647 V651 V669 D694 V695N647-T692 VanDerWaalsContact C-CG2 3.43Å; V651-T692 HydrophobicContact CG2-CG2 3.95Å; V669-T692 HydrophobicContact CB-CG2 4.37Å; V669-T692 HydrophobicContact CG1-CG2 4.04Å; V669-T692 PolarHBondContact O-OG1 3.4Å; T692-D694 PolarHBondContact O-N 2.72Å; T692-D694 VanDerWaalsContact O-N 3.11Å; T692-V695 VanDerWaalsContact O-CG2 3.24Å; T692-V695 WeakPolarHBondContact O-CG2 3.23Å; T692-V695 PolarHBondContact O-N 2.89Å
693D92.9Very high84.2Confident6 Ų648.1 Ų48.13%0.03226%0.256CS..THydrogen-bonded Turntrans-58.1-22.6176-75.2-66.9000114P697 A713 R718 R722D693-P697 WeakPolarHBondContact O-CD 3.34Å; D693-A713 WeakPolarHBondContact OD2-CB 3.45Å; D693-R718 PolarHBondContact O-NH2 3.12Å; D693-R722 WeakPolarHBondContact OD1-CG 3.38Å; D693-R722 IonicContact OD1-CZ 3.07Å; D693-R722 IonicContact OD1-NE 2.65Å; D693-R722 PolarHBondContact OD1-NE 2.94Å; D693-R722 IonicContact OD1-NH2 3.82Å; D693-R722 PolarHBondContact OD1-NH2 3.23Å; D693-R722 IonicContact OD2-CZ 3.75Å; D693-R722 IonicContact OD2-NE 3.84Å; D693-R722 IonicContact OD2-NH2 3.17Å; D693-R722 PolarHBondContact OD2-NH2 2.74Å
694D91.1Very high84.9Confident107 Ų10743.4 Ų43.457%0.57223%0.234SC*.THydrogen-bonded Turntrans-69.4-32.6-176.3-65.1-49.3000113T692 R718T692-D694 PolarHBondContact O-N 2.72Å; T692-D694 VanDerWaalsContact O-N 3.11Å; D694-R718 VanDerWaalsContact N-NH2 3.17Å; D694-R718 IonicContact OD1-CZ 3.43Å; D694-R718 IonicContact OD1-NH1 3.71Å; D694-R718 IonicContact OD1-NH2 3.63Å; D694-R718 PolarHBondContact OD1-NH2 3.37Å
695V91.9Very high85.9Confident2 Ų243.1 Ų43.11%0.01223%0.232CC..THydrogen-bonded Turntrans-88.8-23.8-178.2-64.90000113C668 Y674 V691 T692 R698 L699C668-V695 VanDerWaalsContact O-CG2 3.3Å; C668-V695 WeakPolarHBondContact O-CG2 3.42Å; Y674-V695 HydrophobicContact CE1-CB 4.07Å; Y674-V695 HydrophobicContact CE1-CG1 4.31Å; Y674-V695 PolarHBondContact OH-O 3.31Å; V691-V695 HydrophobicContact CB-CG2 3.76Å; V691-V695 HydrophobicContact CG1-CG2 4.26Å; T692-V695 VanDerWaalsContact O-CG2 3.24Å; T692-V695 WeakPolarHBondContact O-CG2 3.23Å; T692-V695 PolarHBondContact O-N 2.89Å; V695-R698 PolarHBondContact O-N 3.5Å; V695-L699 HydrophobicContact CG2-CD1 4.48Å; V695-L699 WeakPolarHBondContact O-CB 3.46Å; V695-L699 PolarHBondContact O-N 3.49Å; V695-L699 VanDerWaalsContact O-N 3.07Å
696V91.2Very high87.3Confident2 Ų240.5 Ų40.51%0.01221%0.214CC..G310 helixtrans-48.6-48-175.1167.20000113.7V644 V691 R698 L699 N721 L725V644-V696 HydrophobicContact CG1-CG2 4.36Å; V691-V696 HydrophobicContact CG2-CG2 4.36Å; V696-R698 PolarHBondContact O-N 2.92Å; V696-L699 PolarHBondContact O-N 2.85Å; V696-L699 VanDerWaalsContact O-N 3.15Å; V696-N721 WeakPolarHBondContact CG1-O 3.49Å; V696-L725 HydrophobicContact CG1-CG 4.41Å
697P85.6Confident88.6Confident83 Ų8337 Ų3754%0.53919%0.19SC..G310 helixtrans-59.9-23.4-173.6-2231000115D693D693-P697 WeakPolarHBondContact O-CD 3.34Å
698R84.8Confident89.5Confident166 Ų16636.7 Ų36.763%0.62619%0.186SC*.G310 helixtrans-117.8-0.6-177.2-73.4177.3171.5-169-4.7112.5E671 Y674 V695 V696 K700E671-R698 VanDerWaalsContact OE1-CD 3.29Å; E671-R698 WeakPolarHBondContact OE1-CD 3.46Å; E671-R698 IonicContact OE1-CZ 3.21Å; E671-R698 IonicContact OE1-NE 3.48Å; E671-R698 IonicContact OE1-NH1 3.9Å; E671-R698 PolarHBondContact OE1-NH1 3Å; E671-R698 IonicContact OE2-NH1 2.94Å; Y674-R698 VanDerWaalsContact OH-CB 3.26Å; Y674-R698 WeakPolarHBondContact OH-CB 3.42Å; V695-R698 PolarHBondContact O-N 3.5Å; V696-R698 PolarHBondContact O-N 2.92Å; R698-K700 PolarHBondContact O-N 3.48Å
699L87.7Confident89.9Confident16 Ų1636.2 Ų36.28%0.08418%0.184CC..  trans-71126.3-177-16370.7000110.4Y674 V677 L689 V691 V695 V696 C701 L725Y674-L699 HydrophobicContact CD1-CD1 4.13Å; Y674-L699 HydrophobicContact CE1-CD1 3.97Å; V677-L699 HydrophobicContact CG2-CD1 3.66Å; L689-L699 HydrophobicContact CD2-CD2 4.36Å; V691-L699 HydrophobicContact CG1-CD2 3.87Å; V691-L699 HydrophobicContact CG2-CD2 4.46Å; V695-L699 HydrophobicContact CG2-CD1 4.48Å; V695-L699 WeakPolarHBondContact O-CB 3.46Å; V695-L699 PolarHBondContact O-N 3.49Å; V695-L699 VanDerWaalsContact O-N 3.07Å; V696-L699 PolarHBondContact O-N 2.85Å; V696-L699 VanDerWaalsContact O-N 3.15Å; L699-C701 WeakPolarHBondContact CD2-SG 3.47Å; L699-C701 VanDerWaalsContact CG-SG 3.54Å; L699-L725 HydrophobicContact CB-CD2 4.05Å; L699-L725 HydrophobicContact CD2-CD2 3.91Å; L699-L725 HydrophobicContact CG-CD2 4.38Å
700K84.8Confident90Very high184 Ų18436.7 Ų36.780%0.819%0.185SC*.  trans-111.584.3179-65-176.7-178178.30110.1R698R698-K700 PolarHBondContact O-N 3.48Å
701C81.9Confident89.9Confident5 Ų537.5 Ų37.53%0.03419%0.191CC..  trans-85.1-7.1-179.5-65.40000114.4V642 W680 L699 I704V642-C701 HydrophobicContact CG2-CB 4.39Å; W680-C701 HydrophobicContact CH2-CB 4.46Å; W680-C701 HydrophobicContact CZ3-CB 4.08Å; L699-C701 WeakPolarHBondContact CD2-SG 3.47Å; L699-C701 VanDerWaalsContact CG-SG 3.54Å; C701-I704 HydrophobicContact CB-CG2 3.67Å
702G83.1Confident89.7Confident41 Ų4138.3 Ų38.342%0.42320%0.195SC..  trans65.8-149.7-165.900000110.7A728G702-A728 WeakPolarHBondContact O-CB 3.48Å
703K85.3Confident89.5Confident111 Ų11138.5 Ų38.548%0.48320%0.197SC..SBendtrans-77.4130.9-179.5-65.7-175.1178.2179.10111.3A728 N729 S732K703-A728 HydrophobicContact CG-CB 4.43Å; K703-N729 WeakPolarHBondContact CA-OD1 3.33Å; K703-S732 PolarHBondContact NZ-OG 3.5Å
704I87.1Confident89.3Confident0 Ų043.2 Ų43.20%023%0.23CC..  trans-125.4114.4-179.355.7146.1000112.6V642 W680 C701 L707 L725 F726 N729V642-I704 HydrophobicContact CG2-CD1 4.38Å; V642-I704 HydrophobicContact CG2-CG2 3.87Å; W680-I704 HydrophobicContact CH2-CG2 4.44Å; C701-I704 HydrophobicContact CB-CG2 3.67Å; I704-L707 HydrophobicContact CD1-CB 4.29Å; I704-L725 HydrophobicContact CD1-CB 3.54Å; I704-L725 HydrophobicContact CG1-CB 4.31Å; I704-L725 WeakPolarHBondContact CG1-O 3.13Å; I704-F726 HydrophobicContact CD1-CD1 4.16Å; I704-F726 HydrophobicContact CD1-CE1 4.04Å; I704-F726 HydrophobicContact CD1-CZ 4.44Å; I704-F726 HydrophobicContact CG1-CD1 4.07Å; I704-F726 HydrophobicContact CG1-CE1 4.22Å; I704-F726 WeakPolarHBondContact O-CE1 3.4Å; I704-N729 PolarHBondContact N-OD1 2.89Å; I704-N729 PolarHBondContact O-ND2 3.12Å
705P86.6Confident89.2Confident32 Ų3243.2 Ų43.221%0.20823%0.228CC..SBendtrans-73.7-24.2-179.324.2-31000113.9E639 P640 G739 Q740E639-P705 HydrophobicContact CB-CB 4.45Å; E639-P705 HydrophobicContact CB-CG 3.51Å; E639-P705 HydrophobicContact CG-CB 4.36Å; E639-P705 HydrophobicContact CG-CG 3.77Å; E639-P705 VanDerWaalsContact OE2-CB 3.27Å; E639-P705 WeakPolarHBondContact OE2-CB 3.45Å; E639-P705 WeakPolarHBondContact OE2-CG 3.47Å; P640-P705 VanDerWaalsContact O-CD 3.27Å; P640-P705 WeakPolarHBondContact O-CD 3.39Å; P640-P705 WeakPolarHBondContact O-CG 3.3Å; P705-G739 CarbonylContact O-C 3.59Å; P705-G739 VanDerWaalsContact O-CA 3.28Å; P705-G739 WeakPolarHBondContact O-CA 3.42Å; P705-Q740 PolarHBondContact O-N 3.27Å
706L89.8Confident89.3Confident3 Ų345.5 Ų45.52%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-135.1134.8176.8-170.674.9000112.7V642 I708 Q740 V742V642-L706 PolarHBondContact N-O 3.41Å; V642-L706 VanDerWaalsContact N-O 3.16Å; L706-I708 HydrophobicContact CD2-CD1 3.62Å; L706-I708 HydrophobicContact CD2-CG1 3.46Å; L706-I708 VanDerWaalsContact CD2-CG1 3.46Å; L706-I708 HydrophobicContact CG-CG1 3.92Å; L706-Q740 CarbonylContact C-O 3.47Å; L706-Q740 VanDerWaalsContact CA-O 3.29Å; L706-Q740 WeakPolarHBondContact CA-O 3.31Å; L706-Q740 HydrophobicContact CD1-CB 3.74Å; L706-Q740 HydrophobicContact CD1-CG 3.92Å; L706-Q740 WeakPolarHBondContact CD1-O 3.43Å; L706-V742 HydrophobicContact CD1-CG2 3.87Å
707L94.6Very high89.2Confident0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-115.2120.8166.1-178.261000109.8V642 V644 I704 H709 R722 L725 F726 Q740 S741 V742V642-L707 HydrophobicContact CB-CD1 4.16Å; V642-L707 HydrophobicContact CG1-CD1 4.23Å; V642-L707 CarbonylContact O-C 3.33Å; V642-L707 WeakPolarHBondContact O-CA 3.41Å; V644-L707 HydrophobicContact CG2-CD1 3.73Å; I704-L707 HydrophobicContact CD1-CB 4.29Å; L707-H709 VanDerWaalsContact CD2-NE2 3.35Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.13Å; L707-R722 HydrophobicContact CD2-CB 4.24Å; L707-R722 WeakPolarHBondContact CD2-O 3.3Å; L707-L725 HydrophobicContact CD1-CD1 3.73Å; L707-F726 HydrophobicContact CB-CE1 4.34Å; L707-F726 HydrophobicContact CB-CE2 3.64Å; L707-F726 HydrophobicContact CB-CZ 3.38Å; L707-F726 HydrophobicContact CD2-CD2 4.33Å; L707-F726 HydrophobicContact CD2-CE2 3.67Å; L707-F726 HydrophobicContact CD2-CZ 4.31Å; L707-F726 HydrophobicContact CG-CE2 4.33Å; L707-F726 HydrophobicContact CG-CZ 4.5Å; L707-Q740 PolarHBondContact N-O 3.31Å; L707-S741 CarbonylContact O-C 3.6Å; L707-S741 VanDerWaalsContact O-CA 3.32Å; L707-S741 WeakPolarHBondContact O-CA 3.5Å; L707-V742 PolarHBondContact O-N 3.1Å
708I95.1Very high89.5Confident2 Ų248.1 Ų48.11%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-104.9124.6175.4-54.3172.3000109.1L626 V642 M643 V644 L706 V742 F744L626-I708 HydrophobicContact CD1-CD1 3.81Å; V642-I708 PolarHBondContact O-N 3.3Å; M643-I708 CarbonylContact C-O 3.59Å; M643-I708 VanDerWaalsContact CA-O 3.27Å; M643-I708 WeakPolarHBondContact CA-O 3.47Å; M643-I708 HydrophobicContact CB-CB 4.12Å; M643-I708 HydrophobicContact CE-CB 4.16Å; M643-I708 HydrophobicContact CE-CD1 3.68Å; M643-I708 HydrophobicContact CE-CG2 3.99Å; M643-I708 HydrophobicContact CG-CB 4.05Å; M643-I708 HydrophobicContact CG-CG2 4.19Å; V644-I708 PolarHBondContact N-O 3.46Å; L706-I708 HydrophobicContact CD2-CD1 3.62Å; L706-I708 HydrophobicContact CD2-CG1 3.46Å; L706-I708 VanDerWaalsContact CD2-CG1 3.46Å; L706-I708 HydrophobicContact CG-CG1 3.92Å; I708-V742 CarbonylContact C-O 3.58Å; I708-V742 WeakPolarHBondContact CA-O 3.41Å; I708-F744 HydrophobicContact CG2-CE2 4.33Å; I708-F744 HydrophobicContact CG2-CZ 4.44Å
709H96.1Very high90Very high0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-97.691.2172.3-51.9-115.6000107.3L707 S711 F719 R722 F723 S741 V742 V743 F744L707-H709 VanDerWaalsContact CD2-NE2 3.35Å; L707-H709 WeakPolarHBondContact CD2-NE2 3.13Å; H709-S711 VanDerWaalsContact C-N 3.28Å; H709-S711 PolarHBondContact O-N 2.87Å; H709-F719 HydrophobicContact CB-CE2 4.2Å; H709-F719 AromaticContact CG-CE2 3.92Å; H709-F719 AromaticContact ND1-CD2 3.86Å; H709-F719 AromaticContact ND1-CE2 3.32Å; H709-F719 VanDerWaalsContact ND1-CE2 3.32Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.25Å; H709-F719 AromaticContact ND1-CZ 3.95Å; H709-R722 VanDerWaalsContact ND1-CD 3.31Å; H709-R722 WeakPolarHBondContact ND1-CD 3.48Å; H709-F723 AromaticContact CE1-CE2 3.42Å; H709-F723 VanDerWaalsContact CE1-CE2 3.42Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.3Å; H709-F723 AromaticContact CE1-CZ 3.7Å; H709-F723 AromaticContact NE2-CE2 3.85Å; H709-F723 AromaticContact NE2-CZ 3.63Å; H709-S741 PolarHBondContact CD2-OG 3.37Å; H709-S741 PolarHBondContact NE2-OG 3.47Å; H709-V742 PolarHBondContact CD2-O 3.1Å; H709-V742 PolarHBondContact N-O 3.08Å; H709-V743 HydrophobicContact CB-CB 4.42Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.26Å; H709-F744 PolarHBondContact O-N 2.9Å
710Y94.8Very high90.4Very high9 Ų940.9 Ų40.94%0.03522%0.222CC..SBendtrans-64.5-37.4-176.2-171.6-92.8000112.1E619 K622 I623 M643 V644 E650 L654 F744E619-Y710 PolarHBondContact OE2-OH 3.48Å; K622-Y710 HydrophobicContact CB-CE2 4.28Å; K622-Y710 HydrophobicContact CD-CE1 4.26Å; K622-Y710 HydrophobicContact CD-CE2 4.36Å; K622-Y710 PolarHBondContact NZ-O 3.04Å; I623-Y710 HydrophobicContact CD1-CE2 4.47Å; M643-Y710 HydrophobicContact SD-CD2 3.99Å; M643-Y710 HydrophobicContact SD-CG 4.34Å; V644-Y710 PolarHBondContact O-N 3.22Å; V644-Y710 VanDerWaalsContact O-N 3.09Å; E650-Y710 HydrophobicContact CG-CD1 4.22Å; E650-Y710 HydrophobicContact CG-CE1 4.37Å; E650-Y710 WeakPolarHBondContact OE1-CD1 3.4Å; L654-Y710 HydrophobicContact CD1-CD2 4.38Å; L654-Y710 HydrophobicContact CD1-CE2 3.73Å; L654-Y710 HydrophobicContact CD2-CD1 4.15Å; L654-Y710 HydrophobicContact CD2-CD2 3.61Å; L654-Y710 HydrophobicContact CD2-CE1 4.32Å; L654-Y710 HydrophobicContact CD2-CE2 3.78Å; L654-Y710 HydrophobicContact CD2-CG 3.8Å; L654-Y710 HydrophobicContact CG-CE2 4.43Å; Y710-F744 HydrophobicContact CD2-CD2 4.05Å; Y710-F744 HydrophobicContact CD2-CE2 4.26Å; Y710-F744 HydrophobicContact CE2-CD2 4.45Å
711S92.3Very high90.7Very high18 Ų1834 Ų3413%0.12619%0.194CC..SBendtrans-140.8149.3174.9-72.90000110E650 H709 R722E650-S711 WeakPolarHBondContact OE1-CB 3.27Å; E650-S711 PolarHBondContact OE1-OG 2.62Å; H709-S711 VanDerWaalsContact C-N 3.28Å; H709-S711 PolarHBondContact O-N 2.87Å; S711-R722 PolarHBondContact O-NH1 2.87Å; S711-R722 PolarHBondContact O-NH2 2.86Å; S711-R722 VanDerWaalsContact O-NH2 3.12Å
712F92.6Very high91.3Very high16 Ų1633.7 Ų33.77%0.0719%0.192CC..  trans-59.8155.2174.2-79.1-75.6000112.1F719 V743 A745 D749 N752 L756F712-F719 AromaticContact CD1-CD2 3.84Å; F712-F719 HydrophobicContact CD1-CD2 3.84Å; F712-F719 AromaticContact CD1-CE2 3.78Å; F712-F719 HydrophobicContact CD1-CE2 3.78Å; F712-F719 HydrophobicContact CD1-CG 4.49Å; F712-F719 HydrophobicContact CD1-CZ 4.41Å; F712-F719 HydrophobicContact CE1-CD2 4.36Å; F712-F719 AromaticContact CE1-CE2 3.9Å; F712-F719 HydrophobicContact CE1-CE2 3.9Å; F712-F719 HydrophobicContact CE1-CZ 4.12Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CE2-CG1 4.42Å; F712-V743 HydrophobicContact CZ-CG1 3.75Å; F712-A745 HydrophobicContact CE2-CB 3.6Å; F712-A745 HydrophobicContact CZ-CB 3.96Å; F712-D749 HydrophobicContact CD2-CB 3.83Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.48Å; F712-D749 HydrophobicContact CE2-CB 3.75Å; F712-N752 HydrophobicContact CB-CB 4.47Å; F712-N752 WeakPolarHBondContact CB-ND2 3.37Å; F712-N752 HydrophobicContact CD1-CB 3.51Å; F712-N752 HydrophobicContact CD2-CB 3.91Å; F712-N752 HydrophobicContact CE1-CB 3.55Å; F712-N752 HydrophobicContact CE2-CB 3.91Å; F712-N752 HydrophobicContact CG-CB 3.7Å; F712-N752 HydrophobicContact CZ-CB 3.75Å; F712-L756 HydrophobicContact CE1-CD1 3.7Å; F712-L756 HydrophobicContact CE1-CG 4.47Å; F712-L756 HydrophobicContact CZ-CD1 3.62Å
713A91.4Very high91.8Very high6 Ų631.8 Ų31.85%0.0517%0.172CC..  trans-76.5157.3171.600000110.1D693 M715 R718 F719D693-A713 WeakPolarHBondContact OD2-CB 3.45Å; A713-M715 PolarHBondContact O-N 3.12Å; A713-R718 HydrophobicContact CB-CB 3.9Å; A713-F719 HydrophobicContact CB-CB 3.82Å
714S87.1Confident92.2Very high104 Ų10427.4 Ų27.473%0.72716%0.156SC*.SBendtrans-61.8-24.5174.8570000113.7
715M90.7Very high92.4Very high107 Ų10727.9 Ų27.953%0.52716%0.158SC..SBendtrans-135.4141.6178.8-64-174.9-70.400110.7A713 A717 R718 F719A713-M715 PolarHBondContact O-N 3.12Å; M715-A717 VanDerWaalsContact C-N 3.28Å; M715-A717 PolarHBondContact O-N 3.28Å; M715-R718 HydrophobicContact CB-CG 4.34Å; M715-R718 VanDerWaalsContact CE-CD 3.43Å; M715-R718 HydrophobicContact CE-CG 3.92Å; M715-R718 WeakPolarHBondContact O-CB 3.44Å; M715-R718 PolarHBondContact O-N 2.73Å; M715-F719 PolarHBondContact O-N 3.07Å
716W92.3Very high92.6Very high50 Ų5026.3 Ų26.319%0.18915%0.148CC..Hα-helixtrans-56.5-40178.5-177-124.4000113.2L601 R718 F719 K720 K755 L756L601-W716 HydrophobicContact CD2-CH2 4.09Å; L601-W716 HydrophobicContact CD2-CZ2 3.95Å; W716-R718 VanDerWaalsContact C-N 3.29Å; W716-R718 PolarHBondContact O-N 2.97Å; W716-F719 HydrophobicContact CE3-CB 4.24Å; W716-F719 AromaticContact CE3-CD1 3.67Å; W716-F719 HydrophobicContact CE3-CD1 3.67Å; W716-F719 HydrophobicContact CE3-CE1 4.42Å; W716-F719 HydrophobicContact CE3-CG 4.21Å; W716-F719 AromaticContact CH2-CD1 3.78Å; W716-F719 HydrophobicContact CH2-CD1 3.78Å; W716-F719 AromaticContact CH2-CE1 3.83Å; W716-F719 HydrophobicContact CH2-CE1 3.83Å; W716-F719 AromaticContact CZ3-CD1 3.22Å; W716-F719 HydrophobicContact CZ3-CD1 3.22Å; W716-F719 AromaticContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CG 4.09Å; W716-F719 WeakPolarHBondContact O-CB 3.17Å; W716-F719 PolarHBondContact O-N 3.11Å; W716-K720 HydrophobicContact CD2-CD 4.48Å; W716-K720 HydrophobicContact CD2-CG 4.19Å; W716-K720 HydrophobicContact CZ2-CD 4.12Å; W716-K720 HydrophobicContact CZ2-CG 4.01Å; W716-K720 WeakPolarHBondContact O-CG 3.38Å; W716-K720 PolarHBondContact O-N 2.85Å; W716-K755 HydrophobicContact CB-CD 3.87Å; W716-K755 HydrophobicContact CD2-CB 3.97Å; W716-K755 HydrophobicContact CD2-CD 3.88Å; W716-K755 HydrophobicContact CD2-CG 4.42Å; W716-K755 HydrophobicContact CE3-CB 3.9Å; W716-K755 HydrophobicContact CE3-CD 4.03Å; W716-K755 HydrophobicContact CG-CD 3.81Å; W716-K755 HydrophobicContact CH2-CB 4.1Å; W716-K755 HydrophobicContact CZ2-CB 4.14Å; W716-K755 HydrophobicContact CZ3-CB 3.95Å; W716-L756 HydrophobicContact CH2-CD2 3.93Å; W716-L756 HydrophobicContact CH2-CG 4.11Å; W716-L756 HydrophobicContact CZ3-CD2 4.38Å; W716-L756 HydrophobicContact CZ3-CG 4.24Å
717A90.3Very high92.5Very high69 Ų6926.4 Ų26.457%0.5715%0.148SC*.Hα-helixtrans-60.2-38.4176.900000112.5M715 N721M715-A717 VanDerWaalsContact C-N 3.28Å; M715-A717 PolarHBondContact O-N 3.28Å; A717-N721 WeakPolarHBondContact O-CB 3.41Å; A717-N721 PolarHBondContact O-N 3.22Å
718R92.3Very high92Very high72 Ų7227.4 Ų27.427%0.27216%0.157SC..Hα-helixtrans-70-42176.3-66.7-179.168.8110.4-7.7111.2D693 D694 A713 M715 W716 K720 N721 R722D693-R718 PolarHBondContact O-NH2 3.12Å; D694-R718 VanDerWaalsContact N-NH2 3.17Å; D694-R718 IonicContact OD1-CZ 3.43Å; D694-R718 IonicContact OD1-NH1 3.71Å; D694-R718 IonicContact OD1-NH2 3.63Å; D694-R718 PolarHBondContact OD1-NH2 3.37Å; A713-R718 HydrophobicContact CB-CB 3.9Å; M715-R718 HydrophobicContact CB-CG 4.34Å; M715-R718 VanDerWaalsContact CE-CD 3.43Å; M715-R718 HydrophobicContact CE-CG 3.92Å; M715-R718 WeakPolarHBondContact O-CB 3.44Å; M715-R718 PolarHBondContact O-N 2.73Å; W716-R718 VanDerWaalsContact C-N 3.29Å; W716-R718 PolarHBondContact O-N 2.97Å; R718-K720 PolarHBondContact O-N 3.24Å; R718-N721 WeakPolarHBondContact O-CB 3.25Å; R718-N721 PolarHBondContact O-N 3.16Å; R718-N721 VanDerWaalsContact O-N 3.13Å; R718-R722 PolarHBondContact O-N 2.88Å
719F95.3Very high91.5Very high0 Ų027.8 Ų27.80%016%0.159CC..Hα-helixtrans-56.8-49.7174.8176.8-96.3000111.7H709 F712 A713 M715 W716 N721 R722 F723 V743 L756H709-F719 HydrophobicContact CB-CE2 4.2Å; H709-F719 AromaticContact CG-CE2 3.92Å; H709-F719 AromaticContact ND1-CD2 3.86Å; H709-F719 AromaticContact ND1-CE2 3.32Å; H709-F719 VanDerWaalsContact ND1-CE2 3.32Å; H709-F719 WeakPolarHBondContact ND1-CE2 3.25Å; H709-F719 AromaticContact ND1-CZ 3.95Å; F712-F719 AromaticContact CD1-CD2 3.84Å; F712-F719 HydrophobicContact CD1-CD2 3.84Å; F712-F719 AromaticContact CD1-CE2 3.78Å; F712-F719 HydrophobicContact CD1-CE2 3.78Å; F712-F719 HydrophobicContact CD1-CG 4.49Å; F712-F719 HydrophobicContact CD1-CZ 4.41Å; F712-F719 HydrophobicContact CE1-CD2 4.36Å; F712-F719 AromaticContact CE1-CE2 3.9Å; F712-F719 HydrophobicContact CE1-CE2 3.9Å; F712-F719 HydrophobicContact CE1-CZ 4.12Å; A713-F719 HydrophobicContact CB-CB 3.82Å; M715-F719 PolarHBondContact O-N 3.07Å; W716-F719 HydrophobicContact CE3-CB 4.24Å; W716-F719 AromaticContact CE3-CD1 3.67Å; W716-F719 HydrophobicContact CE3-CD1 3.67Å; W716-F719 HydrophobicContact CE3-CE1 4.42Å; W716-F719 HydrophobicContact CE3-CG 4.21Å; W716-F719 AromaticContact CH2-CD1 3.78Å; W716-F719 HydrophobicContact CH2-CD1 3.78Å; W716-F719 AromaticContact CH2-CE1 3.83Å; W716-F719 HydrophobicContact CH2-CE1 3.83Å; W716-F719 AromaticContact CZ3-CD1 3.22Å; W716-F719 HydrophobicContact CZ3-CD1 3.22Å; W716-F719 AromaticContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CE1 3.54Å; W716-F719 HydrophobicContact CZ3-CG 4.09Å; W716-F719 WeakPolarHBondContact O-CB 3.17Å; W716-F719 PolarHBondContact O-N 3.11Å; F719-N721 VanDerWaalsContact C-N 3.29Å; F719-N721 PolarHBondContact O-N 3.12Å; F719-R722 VanDerWaalsContact O-CB 3.26Å; F719-R722 WeakPolarHBondContact O-CB 3.46Å; F719-R722 WeakPolarHBondContact O-CG 3.39Å; F719-R722 PolarHBondContact O-N 2.97Å; F719-R722 VanDerWaalsContact O-N 3.15Å; F719-F723 HydrophobicContact CD1-CE2 4.4Å; F719-F723 AromaticContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CZ 4.48Å; F719-F723 HydrophobicContact CZ-CE2 4.05Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; F719-V743 HydrophobicContact CE2-CG1 4.26Å; F719-V743 HydrophobicContact CE2-CG2 4.37Å; F719-V743 HydrophobicContact CZ-CG1 4.31Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; F719-L756 HydrophobicContact CE1-CD2 4.08Å; F719-L756 HydrophobicContact CZ-CD2 4.34Å
720K94.1Very high90.6Very high29 Ų2929.2 Ų29.213%0.12617%0.166CC..Hα-helixtrans-60-40.5175.9-66.9-169.3-61.9174.20111.8N417 D599 A600 L601 W716 R718 R722 F723N417-K720 PolarHBondContact ND2-NZ 3.43Å; D599-K720 WeakPolarHBondContact OD2-CD 3.49Å; D599-K720 WeakPolarHBondContact OD2-CE 3.31Å; D599-K720 IonicContact OD2-NZ 2.85Å; D599-K720 PolarHBondContact OD2-NZ 3.01Å; A600-K720 WeakPolarHBondContact CB-O 3.37Å; L601-K720 HydrophobicContact CB-CB 4.06Å; L601-K720 HydrophobicContact CB-CD 4.41Å; L601-K720 HydrophobicContact CB-CG 3.99Å; L601-K720 HydrophobicContact CD2-CD 4.41Å; L601-K720 HydrophobicContact CD2-CG 4.04Å; W716-K720 HydrophobicContact CD2-CD 4.48Å; W716-K720 HydrophobicContact CD2-CG 4.19Å; W716-K720 HydrophobicContact CZ2-CD 4.12Å; W716-K720 HydrophobicContact CZ2-CG 4.01Å; W716-K720 WeakPolarHBondContact O-CG 3.38Å; W716-K720 PolarHBondContact O-N 2.85Å; R718-K720 PolarHBondContact O-N 3.24Å; K720-R722 PolarHBondContact O-N 3.12Å; K720-R722 VanDerWaalsContact O-N 3.17Å; K720-F723 WeakPolarHBondContact O-CB 3.34Å; K720-F723 WeakPolarHBondContact O-CD2 3.5Å; K720-F723 PolarHBondContact O-N 2.85Å
721N92.3Very high89.5Confident39 Ų3933.8 Ų33.821%0.20919%0.187CC..Hα-helixtrans-63-21.4179.2-16750000113.8V696 A717 R718 F719 F723 S724V696-N721 WeakPolarHBondContact CG1-O 3.49Å; A717-N721 WeakPolarHBondContact O-CB 3.41Å; A717-N721 PolarHBondContact O-N 3.22Å; R718-N721 WeakPolarHBondContact O-CB 3.25Å; R718-N721 PolarHBondContact O-N 3.16Å; R718-N721 VanDerWaalsContact O-N 3.13Å; F719-N721 VanDerWaalsContact C-N 3.29Å; F719-N721 PolarHBondContact O-N 3.12Å; N721-F723 PolarHBondContact O-N 2.81Å; N721-S724 VanDerWaalsContact O-CB 3.23Å; N721-S724 WeakPolarHBondContact O-CB 3.24Å; N721-S724 PolarHBondContact O-N 3.18Å; N721-S724 PolarHBondContact O-OG 2.91Å
722R94.6Very high88Confident0 Ų034.9 Ų34.90%019%0.194CC..G310 helixtrans-56.8-32.4171.8-61.5177179.5-172.20.4112.6V644 D693 L707 H709 S711 R718 F719 K720 S724 L725V644-R722 HydrophobicContact CG1-CG 4.14Å; V644-R722 HydrophobicContact CG2-CG 4.34Å; D693-R722 WeakPolarHBondContact OD1-CG 3.38Å; D693-R722 IonicContact OD1-CZ 3.07Å; D693-R722 IonicContact OD1-NE 2.65Å; D693-R722 PolarHBondContact OD1-NE 2.94Å; D693-R722 IonicContact OD1-NH2 3.82Å; D693-R722 PolarHBondContact OD1-NH2 3.23Å; D693-R722 IonicContact OD2-CZ 3.75Å; D693-R722 IonicContact OD2-NE 3.84Å; D693-R722 IonicContact OD2-NH2 3.17Å; D693-R722 PolarHBondContact OD2-NH2 2.74Å; L707-R722 HydrophobicContact CD2-CB 4.24Å; L707-R722 WeakPolarHBondContact CD2-O 3.3Å; H709-R722 VanDerWaalsContact ND1-CD 3.31Å; H709-R722 WeakPolarHBondContact ND1-CD 3.48Å; S711-R722 PolarHBondContact O-NH1 2.87Å; S711-R722 PolarHBondContact O-NH2 2.86Å; S711-R722 VanDerWaalsContact O-NH2 3.12Å; R718-R722 PolarHBondContact O-N 2.88Å; F719-R722 VanDerWaalsContact O-CB 3.26Å; F719-R722 WeakPolarHBondContact O-CB 3.46Å; F719-R722 WeakPolarHBondContact O-CG 3.39Å; F719-R722 PolarHBondContact O-N 2.97Å; F719-R722 VanDerWaalsContact O-N 3.15Å; K720-R722 PolarHBondContact O-N 3.12Å; K720-R722 VanDerWaalsContact O-N 3.17Å; R722-S724 PolarHBondContact O-N 3.35Å; R722-L725 WeakPolarHBondContact O-CB 3.25Å; R722-L725 VanDerWaalsContact O-CG 3.31Å; R722-L725 WeakPolarHBondContact O-CG 3.06Å; R722-L725 PolarHBondContact O-N 2.86Å
723F94.3Very high86.1Confident0 Ų038.7 Ų38.70%022%0.221CC..G310 helixtrans-69.1-14178.6-69.4-97.5000113A600 L601 S604 L611 H709 F719 K720 N721 L725 F726 S741A600-F723 HydrophobicContact CB-CB 4.22Å; A600-F723 VanDerWaalsContact O-CB 3.32Å; A600-F723 WeakPolarHBondContact O-CB 3.36Å; L601-F723 HydrophobicContact CB-CB 4.47Å; L601-F723 HydrophobicContact CB-CD2 3.91Å; L601-F723 HydrophobicContact CB-CE2 4.35Å; L601-F723 HydrophobicContact CB-CG 4.1Å; L601-F723 HydrophobicContact CD1-CD1 3.83Å; L601-F723 HydrophobicContact CD1-CD2 3.92Å; L601-F723 HydrophobicContact CD1-CE1 3.54Å; L601-F723 HydrophobicContact CD1-CE2 3.65Å; L601-F723 HydrophobicContact CD1-CG 4.03Å; L601-F723 HydrophobicContact CD1-CZ 3.47Å; L601-F723 VanDerWaalsContact CD1-CZ 3.47Å; L601-F723 HydrophobicContact CG-CD2 4.46Å; L601-F723 HydrophobicContact CG-CE2 4.44Å; S604-F723 PolarHBondContact OG-O 2.92Å; S604-F723 VanDerWaalsContact OG-O 3.07Å; L611-F723 HydrophobicContact CD1-CE1 4.1Å; L611-F723 HydrophobicContact CD1-CZ 3.85Å; H709-F723 AromaticContact CE1-CE2 3.42Å; H709-F723 VanDerWaalsContact CE1-CE2 3.42Å; H709-F723 WeakPolarHBondContact CE1-CE2 3.3Å; H709-F723 AromaticContact CE1-CZ 3.7Å; H709-F723 AromaticContact NE2-CE2 3.85Å; H709-F723 AromaticContact NE2-CZ 3.63Å; F719-F723 HydrophobicContact CD1-CE2 4.4Å; F719-F723 AromaticContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CE2 3.83Å; F719-F723 HydrophobicContact CE1-CZ 4.48Å; F719-F723 HydrophobicContact CZ-CE2 4.05Å; F719-F723 HydrophobicContact CZ-CZ 4.47Å; K720-F723 WeakPolarHBondContact O-CB 3.34Å; K720-F723 WeakPolarHBondContact O-CD2 3.5Å; K720-F723 PolarHBondContact O-N 2.85Å; N721-F723 PolarHBondContact O-N 2.81Å; F723-L725 PolarHBondContact O-N 2.97Å; F723-L725 VanDerWaalsContact O-N 3.07Å; F723-F726 HydrophobicContact CD1-CD2 4.14Å; F723-F726 HydrophobicContact CD1-CE2 4.1Å; F723-F726 WeakPolarHBondContact O-CB 3.28Å; F723-F726 PolarHBondContact O-N 2.68Å; F723-S741 VanDerWaalsContact CE1-OG 3.3Å; F723-S741 WeakPolarHBondContact CE1-OG 3.31Å; F723-S741 VanDerWaalsContact CZ-OG 3.32Å; F723-S741 WeakPolarHBondContact CZ-OG 3.28Å
724S92.3Very high84.3Confident20 Ų2042.4 Ų42.414%0.1424%0.242CC..G310 helixtrans-60.3-19.8173.567.10000113.2N721 R722 F726 Y727N721-S724 VanDerWaalsContact O-CB 3.23Å; N721-S724 WeakPolarHBondContact O-CB 3.24Å; N721-S724 PolarHBondContact O-N 3.18Å; N721-S724 PolarHBondContact O-OG 2.91Å; R722-S724 PolarHBondContact O-N 3.35Å; S724-F726 PolarHBondContact O-N 2.91Å; S724-Y727 VanDerWaalsContact O-CB 3.23Å; S724-Y727 WeakPolarHBondContact O-CB 3.18Å; S724-Y727 WeakPolarHBondContact O-CD2 3.32Å; S724-Y727 PolarHBondContact O-N 3.28Å; S724-Y727 VanDerWaalsContact O-N 3.08Å
725L91.9Very high82.5Confident9 Ų943.1 Ų43.15%0.04724%0.243CC..G310 helixtrans-62.7-24.7173.6-61.5175.1000112.6V642 V696 L699 I704 L707 R722 F723 Y727V642-L725 HydrophobicContact CB-CD1 4.43Å; V642-L725 HydrophobicContact CG1-CD1 3.87Å; V696-L725 HydrophobicContact CG1-CG 4.41Å; L699-L725 HydrophobicContact CB-CD2 4.05Å; L699-L725 HydrophobicContact CD2-CD2 3.91Å; L699-L725 HydrophobicContact CG-CD2 4.38Å; I704-L725 HydrophobicContact CD1-CB 3.54Å; I704-L725 HydrophobicContact CG1-CB 4.31Å; I704-L725 WeakPolarHBondContact CG1-O 3.13Å; L707-L725 HydrophobicContact CD1-CD1 3.73Å; R722-L725 WeakPolarHBondContact O-CB 3.25Å; R722-L725 VanDerWaalsContact O-CG 3.31Å; R722-L725 WeakPolarHBondContact O-CG 3.06Å; R722-L725 PolarHBondContact O-N 2.86Å; F723-L725 PolarHBondContact O-N 2.97Å; F723-L725 VanDerWaalsContact O-N 3.07Å; L725-Y727 VanDerWaalsContact C-N 3.32Å; L725-Y727 PolarHBondContact O-N 2.7Å
726F90.6Very high80.7Confident0 Ų047.5 Ų47.50%025%0.254CS..G310 helixtrans-79.2-9.2174.9-69-64.9000114.1V609 I704 L707 F723 S724 A728 N729 L730 Q740V609-F726 HydrophobicContact CG1-CD2 4.05Å; V609-F726 HydrophobicContact CG1-CE1 4.38Å; V609-F726 HydrophobicContact CG1-CE2 3.69Å; V609-F726 HydrophobicContact CG1-CZ 3.86Å; V609-F726 HydrophobicContact CG2-CB 4.05Å; V609-F726 HydrophobicContact CG2-CD1 3.94Å; V609-F726 HydrophobicContact CG2-CD2 3.95Å; V609-F726 HydrophobicContact CG2-CE1 4.36Å; V609-F726 HydrophobicContact CG2-CE2 4.36Å; V609-F726 HydrophobicContact CG2-CG 3.72Å; I704-F726 HydrophobicContact CD1-CD1 4.16Å; I704-F726 HydrophobicContact CD1-CE1 4.04Å; I704-F726 HydrophobicContact CD1-CZ 4.44Å; I704-F726 HydrophobicContact CG1-CD1 4.07Å; I704-F726 HydrophobicContact CG1-CE1 4.22Å; I704-F726 WeakPolarHBondContact O-CE1 3.4Å; L707-F726 HydrophobicContact CB-CE1 4.34Å; L707-F726 HydrophobicContact CB-CE2 3.64Å; L707-F726 HydrophobicContact CB-CZ 3.38Å; L707-F726 HydrophobicContact CD2-CD2 4.33Å; L707-F726 HydrophobicContact CD2-CE2 3.67Å; L707-F726 HydrophobicContact CD2-CZ 4.31Å; L707-F726 HydrophobicContact CG-CE2 4.33Å; L707-F726 HydrophobicContact CG-CZ 4.5Å; F723-F726 HydrophobicContact CD1-CD2 4.14Å; F723-F726 HydrophobicContact CD1-CE2 4.1Å; F723-F726 WeakPolarHBondContact O-CB 3.28Å; F723-F726 PolarHBondContact O-N 2.68Å; S724-F726 PolarHBondContact O-N 2.91Å; F726-A728 PolarHBondContact O-N 2.66Å; F726-A728 VanDerWaalsContact O-N 3.09Å; F726-N729 WeakPolarHBondContact O-CA 3.24Å; F726-N729 VanDerWaalsContact O-CB 3.29Å; F726-N729 WeakPolarHBondContact O-CB 3.02Å; F726-N729 PolarHBondContact O-N 3.11Å; F726-L730 PolarHBondContact O-N 3.32Å; F726-Q740 WeakPolarHBondContact CZ-O 3.39Å
727Y88.4Confident79.1Confident4 Ų448.5 Ų48.52%0.01627%0.266CS..G310 helixtrans-58.9-28.8-176.1-70.4-12.4000113.5N353 L358 A600 A603 S724 L725 N729 L730N353-Y727 HydrophobicContact CB-CD2 3.63Å; N353-Y727 HydrophobicContact CB-CE2 4.48Å; N353-Y727 HydrophobicContact CB-CG 4.13Å; L358-Y727 HydrophobicContact CB-CD1 4.18Å; L358-Y727 HydrophobicContact CB-CE1 3.68Å; L358-Y727 HydrophobicContact CB-CE2 4.16Å; L358-Y727 HydrophobicContact CD1-CD1 3.72Å; L358-Y727 HydrophobicContact CD1-CD2 4.32Å; L358-Y727 HydrophobicContact CD1-CE1 4.13Å; L358-Y727 HydrophobicContact CD1-CG 3.79Å; L358-Y727 HydrophobicContact CD2-CD1 4.25Å; L358-Y727 HydrophobicContact CD2-CE1 4.19Å; L358-Y727 HydrophobicContact CG-CD1 4.28Å; L358-Y727 HydrophobicContact CG-CE1 4.22Å; A600-Y727 VanDerWaalsContact CA-OH 3.24Å; A600-Y727 WeakPolarHBondContact CA-OH 3.27Å; A600-Y727 HydrophobicContact CB-CE1 4.04Å; A600-Y727 VanDerWaalsContact CB-OH 3.22Å; A600-Y727 WeakPolarHBondContact CB-OH 3.48Å; A603-Y727 HydrophobicContact CB-CE1 4.07Å; S724-Y727 VanDerWaalsContact O-CB 3.23Å; S724-Y727 WeakPolarHBondContact O-CB 3.18Å; S724-Y727 WeakPolarHBondContact O-CD2 3.32Å; S724-Y727 PolarHBondContact O-N 3.28Å; S724-Y727 VanDerWaalsContact O-N 3.08Å; L725-Y727 VanDerWaalsContact C-N 3.32Å; L725-Y727 PolarHBondContact O-N 2.7Å; Y727-N729 VanDerWaalsContact C-N 3.33Å; Y727-L730 HydrophobicContact CD1-CD1 4.2Å
728A83.6Confident78.4Confident22 Ų2246.3 Ų46.318%0.18225%0.246CC..G310 helixtrans-69.9-30.2174.200000113G702 K703 F726 L730 K731G702-A728 WeakPolarHBondContact O-CB 3.48Å; K703-A728 HydrophobicContact CG-CB 4.43Å; F726-A728 PolarHBondContact O-N 2.66Å; F726-A728 VanDerWaalsContact O-N 3.09Å; A728-L730 VanDerWaalsContact C-N 3.31Å; A728-K731 WeakPolarHBondContact O-CB 3.39Å; A728-K731 PolarHBondContact O-N 2.74Å
729N83.8Confident78.2Confident9 Ų943.3 Ų43.35%0.04824%0.237CC..G310 helixtrans-70.8-34179.4-54.619.4000110.6K703 I704 F726 Y727 K731 S732 V738K703-N729 WeakPolarHBondContact CA-OD1 3.33Å; I704-N729 PolarHBondContact N-OD1 2.89Å; I704-N729 PolarHBondContact O-ND2 3.12Å; F726-N729 WeakPolarHBondContact O-CA 3.24Å; F726-N729 VanDerWaalsContact O-CB 3.29Å; F726-N729 WeakPolarHBondContact O-CB 3.02Å; F726-N729 PolarHBondContact O-N 3.11Å; Y727-N729 VanDerWaalsContact C-N 3.33Å; N729-K731 PolarHBondContact O-N 3.23Å; N729-K731 VanDerWaalsContact O-N 3.13Å; N729-S732 PolarHBondContact O-N 3.25Å; N729-V738 HydrophobicContact CB-CG1 3.18Å; N729-V738 PolarHBondContact ND2-O 3.4Å
730L77.9Confident78Confident31 Ų3146.1 Ų46.116%0.16225%0.25CS..G310 helixtrans-69.7-3.8178.1-58.9173.7000114.2L358 G607 F726 Y727 A728 S732 V738L358-L730 HydrophobicContact CD1-CD1 4.33Å; L358-L730 HydrophobicContact CD2-CD1 3.45Å; L358-L730 VanDerWaalsContact CD2-CD1 3.45Å; G607-L730 VanDerWaalsContact CA-CD2 3.44Å; F726-L730 PolarHBondContact O-N 3.32Å; Y727-L730 HydrophobicContact CD1-CD1 4.2Å; A728-L730 VanDerWaalsContact C-N 3.31Å; L730-S732 VanDerWaalsContact C-N 3.32Å; L730-V738 HydrophobicContact CD2-CB 4.45Å; L730-V738 HydrophobicContact CD2-CG1 3.71Å; L730-V738 HydrophobicContact CD2-CG2 4.37Å; L730-V738 HydrophobicContact CG-CG1 4.27Å
731K72.1Confident78Confident105 Ų10544.8 Ų44.846%0.45724%0.244SC..G310 helixtrans-77.9-13.5177.4-64.8-168.7172.5-175.60113.9T351 A728 N729T351-K731 HydrophobicContact CG2-CG 4.37Å; A728-K731 WeakPolarHBondContact O-CB 3.39Å; A728-K731 PolarHBondContact O-N 2.74Å; N729-K731 PolarHBondContact O-N 3.23Å; N729-K731 VanDerWaalsContact O-N 3.13Å
732S60.4Low78.2Confident41 Ų4142.9 Ų42.929%0.28723%0.234SC..SBendtrans-121.2128.2-176.5-62.30000110.8K703 N729 L730 T734K703-S732 PolarHBondContact NZ-OG 3.5Å; N729-S732 PolarHBondContact O-N 3.25Å; L730-S732 VanDerWaalsContact C-N 3.32Å; S732-T734 PolarHBondContact O-N 2.96Å
733P53.2Low78.3Confident96 Ų9642.9 Ų42.962%0.62323%0.234SC*.  trans-75.592.2175.831.4-32.9000108.9F345F345-P733 WeakPolarHBondContact O-CB 3.49Å
734T52.9Low78.3Confident83 Ų8342.9 Ų42.951%0.50923%0.234SC..  trans-113.8142.2174.7480000110.7S732 R736S732-T734 PolarHBondContact O-N 2.96Å; T734-R736 PolarHBondContact O-N 3.23Å
735T49.2Very low78.4Confident120 Ų12042 Ų4274%0.73623%0.228SC*.SBendtrans-74.68.6177.347.10000114.2
736R53.8Low78.4Confident199 Ų19944.3 Ų44.375%0.75124%0.237SC*.SBendtrans-113.1155-177.6-72.8-172.6-179.7-176.40.3110.9T734 V738T734-R736 PolarHBondContact O-N 3.23Å; R736-V738 PolarHBondContact O-N 3.27Å
737P58.2Low78.4Confident70 Ų7046 Ų4646%0.45525%0.249SC..  trans-51.1129172.619.8-31000109.7Q610 G739Q610-P737 HydrophobicContact CG-CB 4.34Å; P737-G739 PolarHBondContact O-N 2.93Å
738V75.9Confident78.5Confident24 Ų2450.1 Ų50.115%0.14527%0.274CS..  trans-69.5-22-171.5170.10000110.9G607 G608 V609 N729 L730 R736G607-V738 WeakPolarHBondContact O-CB 3.2Å; G607-V738 WeakPolarHBondContact O-CG2 3.41Å; G608-V738 PolarHBondContact O-N 3.47Å; V609-V738 HydrophobicContact CG2-CB 4.42Å; V609-V738 HydrophobicContact CG2-CG1 4.36Å; N729-V738 HydrophobicContact CB-CG1 3.18Å; N729-V738 PolarHBondContact ND2-O 3.4Å; L730-V738 HydrophobicContact CD2-CB 4.45Å; L730-V738 HydrophobicContact CD2-CG1 3.71Å; L730-V738 HydrophobicContact CD2-CG2 4.37Å; L730-V738 HydrophobicContact CG-CG1 4.27Å; R736-V738 PolarHBondContact O-N 3.27Å
739G87.3Confident78.9Confident8 Ų851.1 Ų51.18%0.08228%0.276CS..EExtended strand (participates in β ladder)trans172.5178.1171.600000110.9V609 Q610 P705 P737V609-G739 VanDerWaalsContact CA-O 3.32Å; V609-G739 WeakPolarHBondContact CA-O 3.5Å; Q610-G739 PolarHBondContact N-O 3.36Å; P705-G739 CarbonylContact O-C 3.59Å; P705-G739 VanDerWaalsContact O-CA 3.28Å; P705-G739 WeakPolarHBondContact O-CA 3.42Å; P737-G739 PolarHBondContact O-N 2.93Å
740Q91.4Very high79.2Confident60 Ų6051.5 Ų51.528%0.2828%0.279SS..EExtended strand (participates in β ladder)trans-120.6138174.7-174.5-176.527.500109.8Q610 P705 L706 L707 F726 V742Q610-Q740 HydrophobicContact CB-CG 4.4Å; Q610-Q740 CarbonylContact O-C 3.6Å; P705-Q740 PolarHBondContact O-N 3.27Å; L706-Q740 CarbonylContact C-O 3.47Å; L706-Q740 VanDerWaalsContact CA-O 3.29Å; L706-Q740 WeakPolarHBondContact CA-O 3.31Å; L706-Q740 HydrophobicContact CD1-CB 3.74Å; L706-Q740 HydrophobicContact CD1-CG 3.92Å; L706-Q740 WeakPolarHBondContact CD1-O 3.43Å; L707-Q740 PolarHBondContact N-O 3.31Å; F726-Q740 WeakPolarHBondContact CZ-O 3.39Å; Q740-V742 HydrophobicContact CG-CG2 4.09Å
741S95Very high79.9Confident0 Ų053.7 Ų53.70%029%0.289CS..EExtended strand (participates in β ladder)trans-112.7124.1170.2169.60000108.2Q610 D612 L707 H709 F723Q610-S741 PolarHBondContact O-N 2.94Å; D612-S741 PolarHBondContact N-O 2.87Å; L707-S741 CarbonylContact O-C 3.6Å; L707-S741 VanDerWaalsContact O-CA 3.32Å; L707-S741 WeakPolarHBondContact O-CA 3.5Å; H709-S741 PolarHBondContact CD2-OG 3.37Å; H709-S741 PolarHBondContact NE2-OG 3.47Å; F723-S741 VanDerWaalsContact CE1-OG 3.3Å; F723-S741 WeakPolarHBondContact CE1-OG 3.31Å; F723-S741 VanDerWaalsContact CZ-OG 3.32Å; F723-S741 WeakPolarHBondContact CZ-OG 3.28Å
742V95.2Very high80.9Confident0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-115.7121.3176.8-1790000109.1D612 R614 L629 L706 L707 I708 H709 Q740 F744D612-V742 HydrophobicContact CB-CG2 4.19Å; D612-V742 CarbonylContact O-C 3.6Å; D612-V742 WeakPolarHBondContact O-CA 3.34Å; R614-V742 HydrophobicContact CG-CG1 4.18Å; L629-V742 HydrophobicContact CD1-CB 4.47Å; L629-V742 HydrophobicContact CD1-CG1 3.98Å; L629-V742 HydrophobicContact CD2-CG2 4.24Å; L706-V742 HydrophobicContact CD1-CG2 3.87Å; L707-V742 PolarHBondContact O-N 3.1Å; I708-V742 CarbonylContact C-O 3.58Å; I708-V742 WeakPolarHBondContact CA-O 3.41Å; H709-V742 PolarHBondContact CD2-O 3.1Å; H709-V742 PolarHBondContact N-O 3.08Å; Q740-V742 HydrophobicContact CG-CG2 4.09Å; V742-F744 HydrophobicContact CG1-CD1 4.11Å; V742-F744 HydrophobicContact CG1-CE1 3.76Å
743V96Very high82.6Confident0 Ų047.9 Ų47.90%026%0.259CS..EExtended strand (participates in β ladder)trans-106.3121.7-179.4-175.10000109.7L611 D612 V613 R614 H709 F712 F719 L756L611-V743 HydrophobicContact CD1-CG2 4.05Å; D612-V743 PolarHBondContact O-N 3.11Å; V613-V743 HydrophobicContact CG1-CB 4.42Å; V613-V743 HydrophobicContact CG2-CB 4.28Å; R614-V743 PolarHBondContact N-O 3.26Å; H709-V743 HydrophobicContact CB-CB 4.42Å; H709-V743 HydrophobicContact CB-CG1 4.27Å; H709-V743 HydrophobicContact CB-CG2 4.26Å; F712-V743 HydrophobicContact CE1-CG1 3.85Å; F712-V743 HydrophobicContact CE2-CG1 4.42Å; F712-V743 HydrophobicContact CZ-CG1 3.75Å; F719-V743 HydrophobicContact CE2-CG1 4.26Å; F719-V743 HydrophobicContact CE2-CG2 4.37Å; F719-V743 HydrophobicContact CZ-CG1 4.31Å; F719-V743 HydrophobicContact CZ-CG2 3.92Å; V743-L756 HydrophobicContact CG1-CD1 4.45Å
744F95.4Very high84.6Confident0 Ų044.5 Ų44.50%023%0.234CC..EExtended strand (participates in β ladder)trans-89.4111.9168.4-65-14.2000109.1R614 K622 H625 L626 L629 I708 H709 Y710 V742R614-F744 HydrophobicContact CB-CD1 4.12Å; R614-F744 HydrophobicContact CB-CE1 4.45Å; R614-F744 WeakPolarHBondContact O-CA 3.44Å; K622-F744 HydrophobicContact CB-CD2 4.27Å; K622-F744 HydrophobicContact CB-CE2 4.49Å; K622-F744 HydrophobicContact CD-CB 4.45Å; K622-F744 HydrophobicContact CD-CD2 4.3Å; K622-F744 HydrophobicContact CG-CD2 4.2Å; H625-F744 HydrophobicContact CB-CE1 4.24Å; H625-F744 HydrophobicContact CB-CZ 4.02Å; L626-F744 HydrophobicContact CB-CE2 4.33Å; L626-F744 HydrophobicContact CB-CZ 4.45Å; L629-F744 HydrophobicContact CD1-CE1 3.94Å; L629-F744 HydrophobicContact CD1-CZ 3.77Å; I708-F744 HydrophobicContact CG2-CE2 4.33Å; I708-F744 HydrophobicContact CG2-CZ 4.44Å; H709-F744 PolarHBondContact O-N 2.9Å; Y710-F744 HydrophobicContact CD2-CD2 4.05Å; Y710-F744 HydrophobicContact CD2-CE2 4.26Å; Y710-F744 HydrophobicContact CE2-CD2 4.45Å; V742-F744 HydrophobicContact CG1-CD1 4.11Å; V742-F744 HydrophobicContact CG1-CE1 3.76Å
745A94.4Very high86.5Confident0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-110.2136.9178.900000110.2V613 R614 V615 V616 F712 I753V613-A745 HydrophobicContact CG1-CB 4.11Å; R614-A745 PolarHBondContact O-N 3.48Å; V615-A745 CarbonylContact C-O 3.55Å; V615-A745 VanDerWaalsContact CA-O 3.23Å; V615-A745 WeakPolarHBondContact CA-O 3.34Å; V616-A745 PolarHBondContact N-O 3.4Å; F712-A745 HydrophobicContact CE2-CB 3.6Å; F712-A745 HydrophobicContact CZ-CB 3.96Å; A745-I753 HydrophobicContact CB-CD1 4.42Å; A745-I753 HydrophobicContact CB-CG1 4.29Å
746K92.1Very high88.7Confident58 Ų5837.3 Ų37.325%0.25219%0.186SC..  trans-85.7148.9167.8-62.8-176.1176.7-1770109.3V616 E619 T748 D749 I753V616-K746 WeakPolarHBondContact O-CA 3.43Å; E619-K746 WeakPolarHBondContact OE1-CE 3.42Å; E619-K746 IonicContact OE1-NZ 3.68Å; E619-K746 PolarHBondContact OE1-NZ 2.95Å; K746-T748 WeakPolarHBondContact CB-OG1 3.45Å; K746-T748 PolarHBondContact O-N 2.72Å; K746-D749 WeakPolarHBondContact CB-OD2 3.47Å; K746-D749 PolarHBondContact N-OD2 3.39Å; K746-D749 WeakPolarHBondContact O-CB 3.3Å; K746-D749 PolarHBondContact O-N 2.7Å; K746-I753 WeakPolarHBondContact O-CD1 3.33Å
747P90.8Very high90.7Very high37 Ų3727.8 Ų27.824%0.2415%0.15CC..THydrogen-bonded Turntrans-57.6-17.6171.5-23.532.3000113.9V615 R778V615-P747 HydrophobicContact CG1-CG 3.71Å; P747-R778 PolarHBondContact O-NE 3.19Å; P747-R778 PolarHBondContact O-NH2 3.04Å
748T90.1Very high92.3Very high90 Ų9025.8 Ų25.855%0.55214%0.135SC*.THydrogen-bonded Turntrans-84.8-11174.749.70000113.6K746 V750K746-T748 WeakPolarHBondContact CB-OG1 3.45Å; K746-T748 PolarHBondContact O-N 2.72Å; T748-V750 PolarHBondContact O-N 3.05Å
749D91.3Very high93Very high42 Ų4225.1 Ų25.123%0.22513%0.13CC..  trans-78.941.6-179.6-67-39000112.5F712 K746 E751 N752 I753F712-D749 HydrophobicContact CD2-CB 3.83Å; F712-D749 WeakPolarHBondContact CD2-OD2 3.48Å; F712-D749 HydrophobicContact CE2-CB 3.75Å; K746-D749 WeakPolarHBondContact CB-OD2 3.47Å; K746-D749 PolarHBondContact N-OD2 3.39Å; K746-D749 WeakPolarHBondContact O-CB 3.3Å; K746-D749 PolarHBondContact O-N 2.7Å; D749-E751 VanDerWaalsContact C-N 3.27Å; D749-E751 PolarHBondContact O-N 3.29Å; D749-E751 VanDerWaalsContact O-N 3.15Å; D749-N752 PolarHBondContact O-N 3.4Å; D749-I753 HydrophobicContact CB-CD1 4.43Å; D749-I753 HydrophobicContact CB-CG1 4.44Å; D749-I753 WeakPolarHBondContact O-CG1 3.34Å; D749-I753 PolarHBondContact O-N 3.19Å
750V91.3Very high93.2Very high18 Ų1825.9 Ų25.911%0.10913%0.131CC..Hα-helixtrans-51.2-45-169.7-176.10000112.1T748 N752 I753 W754 L775 R778T748-V750 PolarHBondContact O-N 3.05Å; V750-N752 PolarHBondContact O-N 3.12Å; V750-I753 PolarHBondContact O-N 3.28Å; V750-W754 WeakPolarHBondContact O-CB 3.08Å; V750-W754 PolarHBondContact O-N 3.13Å; V750-L775 HydrophobicContact CG1-CD2 3.82Å; V750-R778 HydrophobicContact CG2-CB 4.07Å; V750-R778 HydrophobicContact CG2-CG 3.71Å
751E92.2Very high93.1Very high77 Ų7723.7 Ų23.736%0.3612%0.121SC..Hα-helixtrans-59.5-43.7-179.8-179.761.9-158.500112.9D749 K755 H806D749-E751 VanDerWaalsContact C-N 3.27Å; D749-E751 PolarHBondContact O-N 3.29Å; D749-E751 VanDerWaalsContact O-N 3.15Å; E751-K755 WeakPolarHBondContact O-CG 3.49Å; E751-K755 PolarHBondContact O-N 2.83Å; E751-K755 WeakPolarHBondContact OE1-CE 3.49Å; E751-K755 IonicContact OE1-NZ 3.56Å; E751-K755 PolarHBondContact OE1-NZ 3.22Å; E751-H806 IonicContact OE1-CE1 3.04Å; E751-H806 IonicContact OE1-NE2 3.69Å; E751-H806 PolarHBondContact OE1-NE2 3.06Å; E751-H806 VanDerWaalsContact OE1-NE2 3.11Å; E751-H806 IonicContact OE2-CD2 3.57Å; E751-H806 IonicContact OE2-CE1 2.66Å; E751-H806 PolarHBondContact OE2-CE1 3.4Å; E751-H806 VanDerWaalsContact OE2-CE1 3.28Å; E751-H806 IonicContact OE2-NE2 3.92Å; E751-H806 PolarHBondContact OE2-NE2 2.98Å
752N93.4Very high92.6Very high24 Ų2428 Ų2813%0.12814%0.14CC..Hα-helixtrans-82.1-34.7-177.3-68.9-48.4000111.7F712 D749 V750 W754 K755 L756F712-N752 HydrophobicContact CB-CB 4.47Å; F712-N752 WeakPolarHBondContact CB-ND2 3.37Å; F712-N752 HydrophobicContact CD1-CB 3.51Å; F712-N752 HydrophobicContact CD2-CB 3.91Å; F712-N752 HydrophobicContact CE1-CB 3.55Å; F712-N752 HydrophobicContact CE2-CB 3.91Å; F712-N752 HydrophobicContact CG-CB 3.7Å; F712-N752 HydrophobicContact CZ-CB 3.75Å; D749-N752 PolarHBondContact O-N 3.4Å; V750-N752 PolarHBondContact O-N 3.12Å; N752-W754 VanDerWaalsContact C-N 3.29Å; N752-W754 PolarHBondContact O-N 3.38Å; N752-K755 PolarHBondContact O-N 3.39Å; N752-L756 PolarHBondContact O-N 2.97Å
753I95.2Very high92.1Very high0 Ų028.9 Ų28.90%014%0.144CC..Hα-helixtrans-59.8-43.8170.9-68172.4000109.8A745 K746 D749 V750 K755 L756 C757 L771 I774 L775A745-I753 HydrophobicContact CB-CD1 4.42Å; A745-I753 HydrophobicContact CB-CG1 4.29Å; K746-I753 WeakPolarHBondContact O-CD1 3.33Å; D749-I753 HydrophobicContact CB-CD1 4.43Å; D749-I753 HydrophobicContact CB-CG1 4.44Å; D749-I753 WeakPolarHBondContact O-CG1 3.34Å; D749-I753 PolarHBondContact O-N 3.19Å; V750-I753 PolarHBondContact O-N 3.28Å; I753-K755 PolarHBondContact O-N 3.11Å; I753-L756 PolarHBondContact O-N 3.42Å; I753-C757 PolarHBondContact O-N 3.03Å; I753-C757 PolarHBondContact O-SG 2.63Å; I753-C757 VanDerWaalsContact O-SG 3.35Å; I753-L771 HydrophobicContact CG2-CB 3.94Å; I753-L771 HydrophobicContact CG2-CD2 4.39Å; I753-I774 HydrophobicContact CD1-CG2 4.13Å; I753-L775 HydrophobicContact CB-CD2 4.2Å; I753-L775 HydrophobicContact CG2-CD1 4.42Å; I753-L775 HydrophobicContact CG2-CD2 3.86Å; I753-L775 HydrophobicContact CG2-CG 4.02Å
754W94.9Very high91.4Very high25 Ų2534.1 Ų34.110%0.09517%0.166CC..Hα-helixtrans-59.2-46.5176.9-168.598.2000111.5V750 N752 L756 C757 D758 L775 L804 H806 L960V750-W754 WeakPolarHBondContact O-CB 3.08Å; V750-W754 PolarHBondContact O-N 3.13Å; N752-W754 VanDerWaalsContact C-N 3.29Å; N752-W754 PolarHBondContact O-N 3.38Å; W754-L756 VanDerWaalsContact C-N 3.35Å; W754-L756 PolarHBondContact O-N 3Å; W754-C757 PolarHBondContact O-N 3.5Å; W754-D758 HydrophobicContact CE3-CB 4.15Å; W754-D758 HydrophobicContact CH2-CB 4.3Å; W754-D758 HydrophobicContact CZ3-CB 3.85Å; W754-D758 WeakPolarHBondContact O-CB 3.19Å; W754-D758 PolarHBondContact O-N 2.95Å; W754-L775 HydrophobicContact CB-CD1 4.26Å; W754-L775 HydrophobicContact CB-CD2 3.98Å; W754-L775 HydrophobicContact CG-CD1 4.38Å; W754-L804 PolarHBondContact NE1-O 3.05Å; W754-H806 HydrophobicContact CD2-CB 4.2Å; W754-H806 AromaticContact CD2-CD2 3.61Å; W754-H806 AromaticContact CE3-CD2 3.79Å; W754-H806 AromaticContact CG-CD2 3.83Å; W754-H806 HydrophobicContact CH2-CB 4.39Å; W754-H806 HydrophobicContact CZ2-CB 3.85Å; W754-L960 HydrophobicContact CD2-CD1 3.86Å; W754-L960 HydrophobicContact CE3-CD1 4.44Å; W754-L960 HydrophobicContact CG-CD1 4.16Å; W754-L960 HydrophobicContact CZ2-CB 3.81Å; W754-L960 HydrophobicContact CZ2-CD1 3.99Å; W754-L960 WeakPolarHBondContact O-CD1 3.27Å
755K94.3Very high91Very high51 Ų5136 Ų3622%0.22218%0.176CC..Hα-helixtrans-63.8-36.5177.5-71.4168.8-178152.50113.2W716 E751 N752 I753 F759W716-K755 HydrophobicContact CB-CD 3.87Å; W716-K755 HydrophobicContact CD2-CB 3.97Å; W716-K755 HydrophobicContact CD2-CD 3.88Å; W716-K755 HydrophobicContact CD2-CG 4.42Å; W716-K755 HydrophobicContact CE3-CB 3.9Å; W716-K755 HydrophobicContact CE3-CD 4.03Å; W716-K755 HydrophobicContact CG-CD 3.81Å; W716-K755 HydrophobicContact CH2-CB 4.1Å; W716-K755 HydrophobicContact CZ2-CB 4.14Å; W716-K755 HydrophobicContact CZ3-CB 3.95Å; E751-K755 WeakPolarHBondContact O-CG 3.49Å; E751-K755 PolarHBondContact O-N 2.83Å; E751-K755 WeakPolarHBondContact OE1-CE 3.49Å; E751-K755 IonicContact OE1-NZ 3.56Å; E751-K755 PolarHBondContact OE1-NZ 3.22Å; N752-K755 PolarHBondContact O-N 3.39Å; I753-K755 PolarHBondContact O-N 3.11Å; K755-F759 WeakPolarHBondContact O-CB 3.06Å; K755-F759 PolarHBondContact O-N 3Å
756L94.8Very high90.7Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-64.9-51.3172.3-80.4169.3000110.6L611 V613 F712 W716 F719 V743 N752 I753 W754 D758 F759 Y760L611-L756 HydrophobicContact CD2-CD2 4.41Å; V613-L756 HydrophobicContact CG1-CD1 4.38Å; V613-L756 HydrophobicContact CG2-CD1 4.2Å; F712-L756 HydrophobicContact CE1-CD1 3.7Å; F712-L756 HydrophobicContact CE1-CG 4.47Å; F712-L756 HydrophobicContact CZ-CD1 3.62Å; W716-L756 HydrophobicContact CH2-CD2 3.93Å; W716-L756 HydrophobicContact CH2-CG 4.11Å; W716-L756 HydrophobicContact CZ3-CD2 4.38Å; W716-L756 HydrophobicContact CZ3-CG 4.24Å; F719-L756 HydrophobicContact CE1-CD2 4.08Å; F719-L756 HydrophobicContact CZ-CD2 4.34Å; V743-L756 HydrophobicContact CG1-CD1 4.45Å; N752-L756 PolarHBondContact O-N 2.97Å; I753-L756 PolarHBondContact O-N 3.42Å; W754-L756 VanDerWaalsContact C-N 3.35Å; W754-L756 PolarHBondContact O-N 3Å; L756-D758 PolarHBondContact O-N 2.72Å; L756-F759 CarbonylContact O-C 3.48Å; L756-F759 WeakPolarHBondContact O-CA 3.45Å; L756-F759 WeakPolarHBondContact O-CB 3.29Å; L756-F759 PolarHBondContact O-N 3.42Å; L756-Y760 VanDerWaalsContact O-CD2 3.3Å; L756-Y760 WeakPolarHBondContact O-CD2 3.4Å; L756-Y760 PolarHBondContact O-N 2.86Å
757C94.6Very high90.5Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-55.8-40.7176.8-70.70000111.9I753 W754 Y760 M761 P768 L771 L772 L775 L960I753-C757 PolarHBondContact O-N 3.03Å; I753-C757 PolarHBondContact O-SG 2.63Å; I753-C757 VanDerWaalsContact O-SG 3.35Å; W754-C757 PolarHBondContact O-N 3.5Å; C757-Y760 PolarHBondContact O-N 3.25Å; C757-M761 VanDerWaalsContact O-CG 3.25Å; C757-M761 WeakPolarHBondContact O-CG 3.48Å; C757-M761 PolarHBondContact O-N 2.93Å; C757-P768 HydrophobicContact CB-CG 4.32Å; C757-L771 WeakPolarHBondContact SG-CB 3.36Å; C757-L772 HydrophobicContact CB-CD2 3.85Å; C757-L775 HydrophobicContact CB-CD1 4.21Å; C757-L960 HydrophobicContact CB-CD1 3.72Å; C757-L960 HydrophobicContact CB-CD2 4.18Å
758D92.1Very high90.6Very high27 Ų2740.4 Ų40.414%0.14420%0.202CC..Hα-helixtrans-62.6-43.5176.6179.158000111.2W754 L756 M761 K762 L960W754-D758 HydrophobicContact CE3-CB 4.15Å; W754-D758 HydrophobicContact CH2-CB 4.3Å; W754-D758 HydrophobicContact CZ3-CB 3.85Å; W754-D758 WeakPolarHBondContact O-CB 3.19Å; W754-D758 PolarHBondContact O-N 2.95Å; L756-D758 PolarHBondContact O-N 2.72Å; D758-M761 PolarHBondContact O-N 2.87Å; D758-K762 VanDerWaalsContact O-CB 3.32Å; D758-K762 WeakPolarHBondContact O-CB 3.27Å; D758-K762 WeakPolarHBondContact O-CG 3.32Å; D758-K762 PolarHBondContact O-N 2.91Å; D758-K762 WeakPolarHBondContact OD1-CE 3.21Å; D758-K762 IonicContact OD1-NZ 2.93Å; D758-K762 PolarHBondContact OD1-NZ 3.02Å; D758-K762 WeakPolarHBondContact OD2-CE 3.38Å; D758-K762 IonicContact OD2-NZ 3.31Å; D758-K762 PolarHBondContact OD2-NZ 3.5Å; D758-L960 HydrophobicContact CB-CD1 3.79Å; D758-L960 HydrophobicContact CB-CG 4.41Å
759F91.9Very high90.6Very high10 Ų1038.4 Ų38.44%0.04420%0.199CC..Hα-helixtrans-61-47.9173.1-179.8-91.4000111.7L601 E602 V605 K755 L756 M761 K762 H763 L765L601-F759 HydrophobicContact CD1-CE1 4.1Å; L601-F759 HydrophobicContact CD1-CZ 4.06Å; L601-F759 HydrophobicContact CD2-CD1 4.06Å; L601-F759 HydrophobicContact CD2-CD2 3.67Å; L601-F759 HydrophobicContact CD2-CE1 4.07Å; L601-F759 HydrophobicContact CD2-CE2 3.68Å; L601-F759 HydrophobicContact CD2-CG 3.87Å; L601-F759 HydrophobicContact CD2-CZ 3.91Å; L601-F759 HydrophobicContact CG-CD1 4.45Å; L601-F759 HydrophobicContact CG-CD2 4.16Å; L601-F759 HydrophobicContact CG-CE1 3.96Å; L601-F759 HydrophobicContact CG-CE2 3.63Å; L601-F759 HydrophobicContact CG-CZ 3.53Å; E602-F759 HydrophobicContact CB-CE2 4.4Å; V605-F759 HydrophobicContact CB-CZ 4.39Å; V605-F759 HydrophobicContact CG2-CE1 4.03Å; V605-F759 HydrophobicContact CG2-CZ 4.12Å; K755-F759 WeakPolarHBondContact O-CB 3.06Å; K755-F759 PolarHBondContact O-N 3Å; L756-F759 CarbonylContact O-C 3.48Å; L756-F759 WeakPolarHBondContact O-CA 3.45Å; L756-F759 WeakPolarHBondContact O-CB 3.29Å; L756-F759 PolarHBondContact O-N 3.42Å; F759-M761 VanDerWaalsContact C-N 3.34Å; F759-M761 PolarHBondContact O-N 2.88Å; F759-K762 PolarHBondContact O-N 3.02Å; F759-H763 AromaticContact CD2-CD2 3.49Å; F759-H763 VanDerWaalsContact CD2-CD2 3.49Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.44Å; F759-H763 AromaticContact CD2-NE2 3.42Å; F759-H763 WeakPolarHBondContact CD2-NE2 3.36Å; F759-H763 AromaticContact CE2-CD2 3.53Å; F759-H763 AromaticContact CE2-CE1 3.46Å; F759-H763 VanDerWaalsContact CE2-CE1 3.46Å; F759-H763 WeakPolarHBondContact CE2-CE1 3.46Å; F759-H763 AromaticContact CE2-CG 3.87Å; F759-H763 AromaticContact CE2-ND1 3.82Å; F759-H763 AromaticContact CE2-NE2 3.28Å; F759-H763 VanDerWaalsContact CE2-NE2 3.28Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.49Å; F759-H763 AromaticContact CG-CD2 3.95Å; F759-H763 AromaticContact CZ-CG 3.92Å; F759-H763 AromaticContact CZ-ND1 3.9Å; F759-H763 WeakPolarHBondContact O-CB 3.44Å; F759-H763 PolarHBondContact O-CD2 3.01Å; F759-H763 PolarHBondContact O-N 2.82Å; F759-L765 HydrophobicContact CD1-CD1 4.16Å; F759-L765 HydrophobicContact CE1-CD1 3.81Å
760Y91.7Very high90.6Very high24 Ų2442.7 Ų42.79%0.09422%0.218CC..Hα-helixtrans-56-48.9177.6-90-102.6000111.9L611 V613 L756 C757 H763 K764 L765 P766 P768L611-Y760 HydrophobicContact CD2-CD2 4.4Å; L611-Y760 HydrophobicContact CD2-CE2 3.49Å; L611-Y760 VanDerWaalsContact CD2-CE2 3.49Å; L611-Y760 HydrophobicContact CG-CE2 4.22Å; L611-Y760 WeakPolarHBondContact CG-OH 3.32Å; L611-Y760 PolarHBondContact O-OH 3.06Å; V613-Y760 HydrophobicContact CG2-CE2 4.45Å; L756-Y760 VanDerWaalsContact O-CD2 3.3Å; L756-Y760 WeakPolarHBondContact O-CD2 3.4Å; L756-Y760 PolarHBondContact O-N 2.86Å; C757-Y760 PolarHBondContact O-N 3.25Å; Y760-H763 PolarHBondContact O-N 2.72Å; Y760-K764 PolarHBondContact O-N 3.02Å; Y760-L765 HydrophobicContact CD1-CB 3.41Å; Y760-L765 VanDerWaalsContact CD1-CB 3.41Å; Y760-L765 HydrophobicContact CD1-CD1 4Å; Y760-L765 HydrophobicContact CD1-CG 4.37Å; Y760-L765 HydrophobicContact CE1-CB 4.05Å; Y760-L765 HydrophobicContact CE1-CD1 4.21Å; Y760-L765 HydrophobicContact CG-CB 4.03Å; Y760-L765 HydrophobicContact CG-CD1 4.17Å; Y760-L765 PolarHBondContact O-N 3.27Å; Y760-P766 VanDerWaalsContact CD1-O 3.25Å; Y760-P766 WeakPolarHBondContact CD1-O 3.33Å; Y760-P768 HydrophobicContact CD1-CG 4.43Å; Y760-P768 HydrophobicContact CG-CG 4.14Å
761M88Confident90.7Very high14 Ų1442.2 Ų42.27%0.06922%0.215CC..Hα-helixtrans-65.2-45.9-178.8-66.5-61.3-57.300112.1C757 D758 F759 H763 K764 R767 E958 L960C757-M761 VanDerWaalsContact O-CG 3.25Å; C757-M761 WeakPolarHBondContact O-CG 3.48Å; C757-M761 PolarHBondContact O-N 2.93Å; D758-M761 PolarHBondContact O-N 2.87Å; F759-M761 VanDerWaalsContact C-N 3.34Å; F759-M761 PolarHBondContact O-N 2.88Å; M761-H763 VanDerWaalsContact C-N 3.27Å; M761-H763 PolarHBondContact O-N 2.9Å; M761-K764 PolarHBondContact O-N 3.5Å; M761-R767 HydrophobicContact SD-CB 4.36Å; M761-R767 HydrophobicContact SD-CG 3.92Å; M761-R767 PolarHBondContact SD-NH1 2.87Å; M761-E958 HydrophobicContact CE-CB 4.26Å; M761-E958 HydrophobicContact CE-CG 4.43Å; M761-L960 HydrophobicContact CG-CD2 4.04Å
762K85.4Confident90.8Very high92 Ų9239 Ų3940%0.420%0.2SC..Hα-helixtrans-63.1-32.9179.9-79.7173.2176.4163.80113.3I576 D758 F759I576-K762 HydrophobicContact CD1-CB 4.08Å; I576-K762 HydrophobicContact CD1-CG 4.41Å; D758-K762 VanDerWaalsContact O-CB 3.32Å; D758-K762 WeakPolarHBondContact O-CB 3.27Å; D758-K762 WeakPolarHBondContact O-CG 3.32Å; D758-K762 PolarHBondContact O-N 2.91Å; D758-K762 WeakPolarHBondContact OD1-CE 3.21Å; D758-K762 IonicContact OD1-NZ 2.93Å; D758-K762 PolarHBondContact OD1-NZ 3.02Å; D758-K762 WeakPolarHBondContact OD2-CE 3.38Å; D758-K762 IonicContact OD2-NZ 3.31Å; D758-K762 PolarHBondContact OD2-NZ 3.5Å; F759-K762 PolarHBondContact O-N 3.02Å
763H84.3Confident90.8Very high18 Ų1839.5 Ų39.58%0.08321%0.211CC..THydrogen-bonded Turntrans-97.58.3-174.5-68.4-104000113.6E602 Y606 F759 Y760 M761 L765E602-H763 IonicContact OE1-CE1 2.73Å; E602-H763 PolarHBondContact OE1-CE1 3.15Å; E602-H763 IonicContact OE1-ND1 3.35Å; Y606-H763 AromaticContact CE2-CE1 3.94Å; Y606-H763 AromaticContact CE2-ND1 3.23Å; Y606-H763 WeakPolarHBondContact CE2-ND1 3.45Å; Y606-H763 AromaticContact CZ-ND1 3.41Å; Y606-H763 WeakPolarHBondContact OH-CB 3.4Å; Y606-H763 PolarHBondContact OH-ND1 2.84Å; Y606-H763 PolarHBondContact OH-O 3.26Å; F759-H763 AromaticContact CD2-CD2 3.49Å; F759-H763 VanDerWaalsContact CD2-CD2 3.49Å; F759-H763 WeakPolarHBondContact CD2-CD2 3.44Å; F759-H763 AromaticContact CD2-NE2 3.42Å; F759-H763 WeakPolarHBondContact CD2-NE2 3.36Å; F759-H763 AromaticContact CE2-CD2 3.53Å; F759-H763 AromaticContact CE2-CE1 3.46Å; F759-H763 VanDerWaalsContact CE2-CE1 3.46Å; F759-H763 WeakPolarHBondContact CE2-CE1 3.46Å; F759-H763 AromaticContact CE2-CG 3.87Å; F759-H763 AromaticContact CE2-ND1 3.82Å; F759-H763 AromaticContact CE2-NE2 3.28Å; F759-H763 VanDerWaalsContact CE2-NE2 3.28Å; F759-H763 WeakPolarHBondContact CE2-NE2 3.49Å; F759-H763 AromaticContact CG-CD2 3.95Å; F759-H763 AromaticContact CZ-CG 3.92Å; F759-H763 AromaticContact CZ-ND1 3.9Å; F759-H763 WeakPolarHBondContact O-CB 3.44Å; F759-H763 PolarHBondContact O-CD2 3.01Å; F759-H763 PolarHBondContact O-N 2.82Å; Y760-H763 PolarHBondContact O-N 2.72Å; M761-H763 VanDerWaalsContact C-N 3.27Å; M761-H763 PolarHBondContact O-N 2.9Å; H763-L765 HydrophobicContact CB-CG 4.15Å; H763-L765 PolarHBondContact O-N 3.33Å
764K81.4Confident90.7Very high109 Ų10940.6 Ų40.647%0.47422%0.216SC..THydrogen-bonded Turntrans54.833.2-177.7-57-174.3171.7-167.30113.5Y760 M761Y760-K764 PolarHBondContact O-N 3.02Å; M761-K764 PolarHBondContact O-N 3.5Å
765L86.4Confident90.7Very high40 Ų4039.4 Ų39.421%0.20921%0.212CC..PPolyproline II helixtrans-76.6161.5169.1-59.5-178.4000109.5V605 F759 Y760 H763 R767V605-L765 HydrophobicContact CG1-CD1 4.1Å; V605-L765 HydrophobicContact CG1-CD2 3.96Å; F759-L765 HydrophobicContact CD1-CD1 4.16Å; F759-L765 HydrophobicContact CE1-CD1 3.81Å; Y760-L765 HydrophobicContact CD1-CB 3.41Å; Y760-L765 VanDerWaalsContact CD1-CB 3.41Å; Y760-L765 HydrophobicContact CD1-CD1 4Å; Y760-L765 HydrophobicContact CD1-CG 4.37Å; Y760-L765 HydrophobicContact CE1-CB 4.05Å; Y760-L765 HydrophobicContact CE1-CD1 4.21Å; Y760-L765 HydrophobicContact CG-CB 4.03Å; Y760-L765 HydrophobicContact CG-CD1 4.17Å; Y760-L765 PolarHBondContact O-N 3.27Å; H763-L765 HydrophobicContact CB-CG 4.15Å; H763-L765 PolarHBondContact O-N 3.33Å; L765-R767 PolarHBondContact O-N 3.04Å
766P88.1Confident90.6Very high102 Ų10238 Ų3866%0.66221%0.208SC*.PPolyproline II helixtrans-51.4129.1177.6-28.136000112.1Y760 P768Y760-P766 VanDerWaalsContact CD1-O 3.25Å; Y760-P766 WeakPolarHBondContact CD1-O 3.33Å; P766-P768 WeakPolarHBondContact O-CD 3.49Å
767R88.8Confident90.4Very high67 Ų6742.6 Ų42.625%0.25323%0.23SC..PPolyproline II helixtrans-59.6119.3-175.5-179.3175.2176.484.5-2.8110.4M761 L765 G769 L772M761-R767 HydrophobicContact SD-CB 4.36Å; M761-R767 HydrophobicContact SD-CG 3.92Å; M761-R767 PolarHBondContact SD-NH1 2.87Å; L765-R767 PolarHBondContact O-N 3.04Å; R767-G769 VanDerWaalsContact C-N 3.33Å; R767-G769 PolarHBondContact O-N 3.05Å; R767-L772 HydrophobicContact CG-CD1 3.87Å; R767-L772 VanDerWaalsContact CZ-CD1 3.41Å
768P91.7Very high90.2Very high18 Ų1845.6 Ų45.612%0.11724%0.241CC..  trans-83.472.8-170.633.5-36.6000112C757 Y760 P766 H770 L771 L772C757-P768 HydrophobicContact CB-CG 4.32Å; Y760-P768 HydrophobicContact CD1-CG 4.43Å; Y760-P768 HydrophobicContact CG-CG 4.14Å; P766-P768 WeakPolarHBondContact O-CD 3.49Å; P768-H770 VanDerWaalsContact C-N 3.33Å; P768-H770 PolarHBondContact O-N 2.86Å; P768-L771 HydrophobicContact CB-CB 4.14Å; P768-L771 HydrophobicContact CB-CD1 3.98Å; P768-L771 HydrophobicContact CB-CG 4.16Å; P768-L771 PolarHBondContact O-N 3.25Å; P768-L772 WeakPolarHBondContact O-CG 3.3Å; P768-L772 PolarHBondContact O-N 3.47Å
769G90.6Very high89.9Confident48 Ų4845 Ų4550%0.49524%0.237SC..Hα-helixtrans-51.3-44.5-172.800000114.7R767 L771 L772 G773R767-G769 VanDerWaalsContact C-N 3.33Å; R767-G769 PolarHBondContact O-N 3.05Å; G769-L771 PolarHBondContact O-N 3.3Å; G769-L772 PolarHBondContact O-N 3.39Å; G769-G773 PolarHBondContact O-N 3.31Å
770H90.9Very high89.7Confident132 Ų13247.3 Ų47.361%0.61125%0.249SC*.Hα-helixtrans-60.3-43.5177.2178.8-105.5000112.8P768 G773 I774P768-H770 VanDerWaalsContact C-N 3.33Å; P768-H770 PolarHBondContact O-N 2.86Å; H770-G773 PolarHBondContact O-N 3.5Å; H770-I774 PolarHBondContact O-N 3.2Å
771L94.9Very high89.4Confident9 Ų949.4 Ų49.45%0.04726%0.26CS..Hα-helixtrans-68.7-37.6178.2-60.5-174.1000111.8V613 V615 I753 C757 P768 G769 G773 I774 L775V613-L771 HydrophobicContact CB-CD1 4.2Å; V613-L771 HydrophobicContact CG1-CD1 4.01Å; V613-L771 HydrophobicContact CG1-CD2 4.1Å; V613-L771 HydrophobicContact CG2-CD1 4.43Å; V615-L771 HydrophobicContact CG2-CD2 3.46Å; V615-L771 VanDerWaalsContact CG2-CD2 3.46Å; I753-L771 HydrophobicContact CG2-CB 3.94Å; I753-L771 HydrophobicContact CG2-CD2 4.39Å; C757-L771 WeakPolarHBondContact SG-CB 3.36Å; P768-L771 HydrophobicContact CB-CB 4.14Å; P768-L771 HydrophobicContact CB-CD1 3.98Å; P768-L771 HydrophobicContact CB-CG 4.16Å; P768-L771 PolarHBondContact O-N 3.25Å; G769-L771 PolarHBondContact O-N 3.3Å; L771-G773 VanDerWaalsContact C-N 3.3Å; L771-G773 PolarHBondContact O-N 3.35Å; L771-I774 HydrophobicContact CD2-CD1 4.32Å; L771-I774 WeakPolarHBondContact O-CB 3.49Å; L771-I774 PolarHBondContact O-N 2.72Å; L771-L775 WeakPolarHBondContact O-CG 3.3Å; L771-L775 PolarHBondContact O-N 3.36Å
772L93.9Very high89.1Confident10 Ų1052.9 Ų52.95%0.05228%0.276CS..Hα-helixtrans-63-38.3174-62.4178.7000111.6C757 R767 P768 G769 I774 L775 S776 L804 L960C757-L772 HydrophobicContact CB-CD2 3.85Å; R767-L772 HydrophobicContact CG-CD1 3.87Å; R767-L772 VanDerWaalsContact CZ-CD1 3.41Å; P768-L772 WeakPolarHBondContact O-CG 3.3Å; P768-L772 PolarHBondContact O-N 3.47Å; G769-L772 PolarHBondContact O-N 3.39Å; L772-I774 VanDerWaalsContact C-N 3.33Å; L772-I774 PolarHBondContact O-N 3.33Å; L772-L775 HydrophobicContact CD2-CD1 4.27Å; L772-L775 WeakPolarHBondContact O-CB 3.38Å; L772-L775 PolarHBondContact O-N 3.27Å; L772-S776 PolarHBondContact O-N 3.22Å; L772-S776 PolarHBondContact O-OG 3.48Å; L772-L804 HydrophobicContact CB-CD2 4.33Å; L772-L804 HydrophobicContact CD2-CD1 4.21Å; L772-L804 HydrophobicContact CD2-CD2 4.45Å; L772-L960 HydrophobicContact CD2-CD2 3.63Å
773G93.1Very high88.6Confident34 Ų3449.6 Ų49.635%0.35126%0.262SS..Hα-helixtrans-60.2-39.3174.100000113.1G769 H770 L771 S776 Q777G769-G773 PolarHBondContact O-N 3.31Å; H770-G773 PolarHBondContact O-N 3.5Å; L771-G773 VanDerWaalsContact C-N 3.3Å; L771-G773 PolarHBondContact O-N 3.35Å; G773-S776 WeakPolarHBondContact CA-OG 3.22Å; G773-S776 PolarHBondContact O-N 2.8Å; G773-S776 PolarHBondContact O-OG 2.79Å; G773-Q777 VanDerWaalsContact O-CB 3.25Å; G773-Q777 WeakPolarHBondContact O-CB 3.42Å; G773-Q777 PolarHBondContact O-N 3.19Å
774I93.6Very high88Confident22 Ų2255 Ų5511%0.11329%0.287CS..Hα-helixtrans-62.6-44.8173.8-64.8167.6000110.7V615 I753 H770 L771 L772 Q777 R778V615-I774 HydrophobicContact CB-CD1 4.21Å; V615-I774 HydrophobicContact CG1-CD1 3.68Å; V615-I774 HydrophobicContact CG2-CD1 3.64Å; I753-I774 HydrophobicContact CD1-CG2 4.13Å; H770-I774 PolarHBondContact O-N 3.2Å; L771-I774 HydrophobicContact CD2-CD1 4.32Å; L771-I774 WeakPolarHBondContact O-CB 3.49Å; L771-I774 PolarHBondContact O-N 2.72Å; L772-I774 VanDerWaalsContact C-N 3.33Å; L772-I774 PolarHBondContact O-N 3.33Å; I774-Q777 PolarHBondContact O-N 2.79Å; I774-R778 HydrophobicContact CG2-CG 4.32Å; I774-R778 WeakPolarHBondContact O-CB 3.25Å; I774-R778 VanDerWaalsContact O-CG 3.23Å; I774-R778 WeakPolarHBondContact O-CG 3.42Å; I774-R778 PolarHBondContact O-N 3.17Å
775L93.7Very high87.5Confident1 Ų156.5 Ų56.51%0.00530%0.3CS..Hα-helixtrans-62-46.2179.1-62.8175.3000111.4V750 I753 W754 C757 L771 L772 R779 L804V750-L775 HydrophobicContact CG1-CD2 3.82Å; I753-L775 HydrophobicContact CB-CD2 4.2Å; I753-L775 HydrophobicContact CG2-CD1 4.42Å; I753-L775 HydrophobicContact CG2-CD2 3.86Å; I753-L775 HydrophobicContact CG2-CG 4.02Å; W754-L775 HydrophobicContact CB-CD1 4.26Å; W754-L775 HydrophobicContact CB-CD2 3.98Å; W754-L775 HydrophobicContact CG-CD1 4.38Å; C757-L775 HydrophobicContact CB-CD1 4.21Å; L771-L775 WeakPolarHBondContact O-CG 3.3Å; L771-L775 PolarHBondContact O-N 3.36Å; L772-L775 HydrophobicContact CD2-CD1 4.27Å; L772-L775 WeakPolarHBondContact O-CB 3.38Å; L772-L775 PolarHBondContact O-N 3.27Å; L775-R779 WeakPolarHBondContact O-CG 3.41Å; L775-R779 PolarHBondContact O-N 3.28Å; L775-L804 HydrophobicContact CB-CD2 4.24Å
776S92.6Very high86.4Confident22 Ų2260.7 Ų60.715%0.15432%0.318CS..Hα-helixtrans-64.9-43178.755.80000112.2L772 G773 R779 L780L772-S776 PolarHBondContact O-N 3.22Å; L772-S776 PolarHBondContact O-OG 3.48Å; G773-S776 WeakPolarHBondContact CA-OG 3.22Å; G773-S776 PolarHBondContact O-N 2.8Å; G773-S776 PolarHBondContact O-OG 2.79Å; S776-R779 PolarHBondContact O-N 3.16Å; S776-L780 PolarHBondContact O-N 3.32Å
777Q90.9Very high85.1Confident95 Ų9563.8 Ų63.844%0.44432%0.324SS..Hα-helixtrans-63.3-44179.7178.758.625.100111.5G773 I774 R779 L780 E781G773-Q777 VanDerWaalsContact O-CB 3.25Å; G773-Q777 WeakPolarHBondContact O-CB 3.42Å; G773-Q777 PolarHBondContact O-N 3.19Å; I774-Q777 PolarHBondContact O-N 2.79Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.16Å; Q777-L780 WeakPolarHBondContact O-CB 3.23Å; Q777-L780 PolarHBondContact O-N 3.17Å; Q777-L780 VanDerWaalsContact O-N 3.08Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.46Å; Q777-E781 PolarHBondContact NE2-OE1 3.27Å; Q777-E781 PolarHBondContact O-N 3.12Å; Q777-E781 VanDerWaalsContact O-N 3.1Å
778R89.3Confident83.7Confident63 Ų6362.8 Ų62.824%0.23833%0.326CS..Hα-helixtrans-60.9-34.7177.4-74.7-71.8-171.5-156.43.7113P747 V750 I774 L780 E781 E782P747-R778 PolarHBondContact O-NE 3.19Å; P747-R778 PolarHBondContact O-NH2 3.04Å; V750-R778 HydrophobicContact CG2-CB 4.07Å; V750-R778 HydrophobicContact CG2-CG 3.71Å; I774-R778 HydrophobicContact CG2-CG 4.32Å; I774-R778 WeakPolarHBondContact O-CB 3.25Å; I774-R778 VanDerWaalsContact O-CG 3.23Å; I774-R778 WeakPolarHBondContact O-CG 3.42Å; I774-R778 PolarHBondContact O-N 3.17Å; R778-L780 VanDerWaalsContact C-N 3.31Å; R778-L780 PolarHBondContact O-N 2.72Å; R778-E781 WeakPolarHBondContact CD-OE2 3.4Å; R778-E781 IonicContact CZ-OE2 3.29Å; R778-E781 IonicContact NE-OE2 2.69Å; R778-E781 IonicContact NH1-OE2 2.77Å; R778-E781 PolarHBondContact NH1-OE2 2.9Å; R778-E781 PolarHBondContact O-N 3.21Å; R778-E782 WeakPolarHBondContact O-CB 3.5Å; R778-E782 VanDerWaalsContact O-CG 3.3Å; R778-E782 WeakPolarHBondContact O-CG 3.34Å; R778-E782 PolarHBondContact O-N 2.94Å
779R87.5Confident81.9Confident16 Ų1667.9 Ų67.96%0.0636%0.357CS..Hα-helixtrans-66.2-32.3175.3-69-68.8175.5-101.3-14.1113.2L775 S776 Q777 E782 R805 H806 H812L775-R779 WeakPolarHBondContact O-CG 3.41Å; L775-R779 PolarHBondContact O-N 3.28Å; S776-R779 PolarHBondContact O-N 3.16Å; Q777-R779 VanDerWaalsContact C-N 3.26Å; Q777-R779 PolarHBondContact O-N 3.16Å; R779-E782 IonicContact CZ-OE2 2.73Å; R779-E782 IonicContact NH1-OE1 3.47Å; R779-E782 PolarHBondContact NH1-OE1 2.87Å; R779-E782 IonicContact NH1-OE2 3.11Å; R779-E782 PolarHBondContact NH1-OE2 3.45Å; R779-R805 PolarHBondContact NE-O 2.71Å; R779-R805 PolarHBondContact NH2-O 3.03Å; R779-H806 VanDerWaalsContact NH2-C 3.35Å; R779-H806 PolarHBondContact NH2-O 3.44Å; R779-H812 PolarHBondContact O-ND1 3.04Å
780L85.9Confident80.6Confident58 Ų5867 Ų6730%0.30434%0.343SS..Hα-helixtrans-69.7-48.1174-61.5174.2000110.1S776 Q777 R778 Q783 E784 M797 H812S776-L780 PolarHBondContact O-N 3.32Å; Q777-L780 WeakPolarHBondContact O-CB 3.23Å; Q777-L780 PolarHBondContact O-N 3.17Å; Q777-L780 VanDerWaalsContact O-N 3.08Å; R778-L780 VanDerWaalsContact C-N 3.31Å; R778-L780 PolarHBondContact O-N 2.72Å; L780-Q783 PolarHBondContact O-N 3.29Å; L780-E784 PolarHBondContact O-N 2.86Å; L780-E784 VanDerWaalsContact O-N 3.17Å; L780-M797 HydrophobicContact CD2-CE 3.75Å; L780-H812 HydrophobicContact CD2-CB 3.82Å
781E86.6Confident79.6Confident68 Ų6869.1 Ų69.132%0.31835%0.346SS..Hα-helixtrans-62.2-44-179.6-68.5170.1-171.300113.3Q777 R778 Q783 E784 L785Q777-E781 WeakPolarHBondContact CG-OE1 3.46Å; Q777-E781 PolarHBondContact NE2-OE1 3.27Å; Q777-E781 PolarHBondContact O-N 3.12Å; Q777-E781 VanDerWaalsContact O-N 3.1Å; R778-E781 WeakPolarHBondContact CD-OE2 3.4Å; R778-E781 IonicContact CZ-OE2 3.29Å; R778-E781 IonicContact NE-OE2 2.69Å; R778-E781 IonicContact NH1-OE2 2.77Å; R778-E781 PolarHBondContact NH1-OE2 2.9Å; R778-E781 PolarHBondContact O-N 3.21Å; E781-Q783 PolarHBondContact O-N 2.68Å; E781-E784 PolarHBondContact O-N 3.39Å; E781-E784 VanDerWaalsContact O-N 3.12Å; E781-L785 PolarHBondContact O-N 2.84Å; E781-L785 VanDerWaalsContact O-N 3.17Å
782E81.8Confident78.9Confident86 Ų8671.2 Ų71.240%0.40236%0.361SS..Hα-helixtrans-56.9-35.3178.4-79170.6173.800112.1R778 R779 H786R778-E782 WeakPolarHBondContact O-CB 3.5Å; R778-E782 VanDerWaalsContact O-CG 3.3Å; R778-E782 WeakPolarHBondContact O-CG 3.34Å; R778-E782 PolarHBondContact O-N 2.94Å; R779-E782 IonicContact CZ-OE2 2.73Å; R779-E782 IonicContact NH1-OE1 3.47Å; R779-E782 PolarHBondContact NH1-OE1 2.87Å; R779-E782 IonicContact NH1-OE2 3.11Å; R779-E782 PolarHBondContact NH1-OE2 3.45Å; E782-H786 PolarHBondContact O-N 3.47Å; E782-H786 VanDerWaalsContact O-N 3.1Å; E782-H786 PolarHBondContact O-ND1 2.85Å
783Q74.7Confident78.5Confident24 Ų2472 Ų7211%0.11237%0.365CS..Hα-helixtrans-80.8-28.9178.9-168.8-161.4-22.700113.2L780 E781 L785 H786 H812L780-Q783 PolarHBondContact O-N 3.29Å; E781-Q783 PolarHBondContact O-N 2.68Å; Q783-L785 PolarHBondContact O-N 3.04Å; Q783-H786 CarbonylContact O-C 3.55Å; Q783-H812 PolarHBondContact OE1-ND1 3Å
784E72.6Confident78.4Confident130 Ų13070.4 Ų70.461%0.60735%0.349SS*.Hα-helixtrans-66.6-31.6171.5-65.9-163.2140.800111.2L780 E781 K1041L780-E784 PolarHBondContact O-N 2.86Å; L780-E784 VanDerWaalsContact O-N 3.17Å; E781-E784 PolarHBondContact O-N 3.39Å; E781-E784 VanDerWaalsContact O-N 3.12Å; E784-K1041 IonicContact OE1-NZ 2.78Å; E784-K1041 PolarHBondContact OE1-NZ 3.16Å
785L69.5Low78.2Confident142 Ų14274.2 Ų74.274%0.74337%0.366SS*.Hα-helixtrans-78.2-38.9177.8-16471.5000113E781 Q783E781-L785 PolarHBondContact O-N 2.84Å; E781-L785 VanDerWaalsContact O-N 3.17Å; Q783-L785 PolarHBondContact O-N 3.04Å
786H64.3Low78.1Confident128 Ų12874.5 Ų74.559%0.59337%0.367SS*.SBendtrans-108.4102.7179.1-55.779.6000108.1E782 Q783E782-H786 PolarHBondContact O-N 3.47Å; E782-H786 VanDerWaalsContact O-N 3.1Å; E782-H786 PolarHBondContact O-ND1 2.85Å; Q783-H786 CarbonylContact O-C 3.55Å
787Q60.5Low78.1Confident167 Ų16773.8 Ų73.878%0.7836%0.361SS*.  trans-41.7135.5177.5-74.8-176.4-0.800110.6T789Q787-T789 PolarHBondContact O-N 3.23Å
788P58.9Low78.1Confident46 Ų4670.2 Ų70.230%0.29935%0.349SS..  trans-58.2111.4-170.420.5-30.6000110.5S790 R811P788-S790 PolarHBondContact O-N 3.06Å; P788-R811 HydrophobicContact CB-CB 4.42Å
789T55.1Low78.2Confident124 Ų12467.5 Ų67.576%0.76134%0.34SS*.SBendtrans-70.2-23.2175.545.40000111.9Q787Q787-T789 PolarHBondContact O-N 3.23Å
790S63.3Low78.5Confident31 Ų3167.9 Ų67.922%0.21734%0.342CS..  trans-107133.8177.7-1740000112.3P788 S792 M809P788-S790 PolarHBondContact O-N 3.06Å; S790-S792 VanDerWaalsContact C-N 3.29Å; S790-S792 PolarHBondContact OG-N 2.88Å; S790-M809 WeakPolarHBondContact CB-O 3.38Å
791R68.5Low78.8Confident175 Ų17565.6 Ų65.666%0.6633%0.333SS*.SBendtrans-69.7-25.4171-66.1-177.1177.3-173.4-1.8112.7R811R791-R811 PolarHBondContact O-NE 2.96Å; R791-R811 VanDerWaalsContact O-NE 3.13Å; R791-R811 PolarHBondContact O-NH2 3.1Å
792S80.4Confident79.2Confident54 Ų5463 Ų6338%0.37832%0.321SS..SBendtrans-84.5133.2-171.4-64.80000112.8S790 R811S790-S792 VanDerWaalsContact C-N 3.29Å; S790-S792 PolarHBondContact OG-N 2.88Å; S792-R811 WeakPolarHBondContact O-CB 3.28Å; S792-R811 PolarHBondContact O-N 3.32Å
793L86.7Confident79.7Confident26 Ų2659 Ų5914%0.13630%0.303CS..BIsolated β-bridgetrans-62.9139.5172-173.467.3000110.6H795 M797 A798 R811L793-H795 PolarHBondContact O-N 3.35Å; L793-M797 HydrophobicContact CD1-CG 4.38Å; L793-A798 HydrophobicContact CD2-CB 3.9Å; L793-A798 HydrophobicContact CG-CB 4.38Å; L793-R811 CarbonylContact C-O 3.56Å; L793-R811 WeakPolarHBondContact CA-O 3.32Å; L793-R811 WeakPolarHBondContact CD1-O 3.33Å
794C89.8Confident80.5Confident0 Ų058 Ų580%030%0.298CS..PPolyproline II helixtrans-62.2129177.8174.40000110.2Q796 M797 A798 C808 R811 H812C794-Q796 VanDerWaalsContact C-N 3.3Å; C794-Q796 PolarHBondContact O-N 3.34Å; C794-M797 HydrophobicContact CB-CB 3.75Å; C794-M797 WeakPolarHBondContact O-CA 3.41Å; C794-M797 WeakPolarHBondContact O-CB 3.39Å; C794-M797 PolarHBondContact O-N 3.31Å; C794-A798 PolarHBondContact O-N 3.06Å; C794-C808 VanDerWaalsContact SG-SG 3.69Å; C794-R811 VanDerWaalsContact CB-O 3.3Å; C794-R811 WeakPolarHBondContact CB-O 3.34Å; C794-R811 PolarHBondContact N-O 3.38Å; C794-H812 WeakPolarHBondContact CB-CD2 3.44Å
795H89.4Confident81.3Confident102 Ų10254.6 Ų54.647%0.47228%0.279SS..Hα-helixtrans-61.7-34.9-178.3-70.278.1000113.5L793 A799L793-H795 PolarHBondContact O-N 3.35Å; H795-A799 WeakPolarHBondContact O-CB 3.46Å; H795-A799 PolarHBondContact O-N 3.35Å
796Q92.6Very high82Confident7 Ų750.4 Ų50.43%0.03326%0.256CS..Hα-helixtrans-70.4-38.7174.5-72.7-167.29.400111.2C794 A799 F800 D802 R805 D961C794-Q796 VanDerWaalsContact C-N 3.3Å; C794-Q796 PolarHBondContact O-N 3.34Å; Q796-A799 PolarHBondContact O-N 2.92Å; Q796-F800 HydrophobicContact CB-CD2 4.19Å; Q796-F800 HydrophobicContact CG-CD2 4.43Å; Q796-F800 WeakPolarHBondContact O-CB 3.23Å; Q796-F800 WeakPolarHBondContact O-CD2 3.12Å; Q796-F800 PolarHBondContact O-N 3.28Å; Q796-D802 CarbonylContact C-O 3.6Å; Q796-R805 HydrophobicContact CG-CG 4.46Å; Q796-R805 VanDerWaalsContact NE2-CG 3.3Å; Q796-D961 PolarHBondContact NE2-O 3.32Å
797M91.7Very high82.8Confident7 Ų751.3 Ų51.33%0.03426%0.258CS..Hα-helixtrans-62-48.7176.2-166.158.2163.200110.7L780 L793 C794 A799 G801 H812 M1036L780-M797 HydrophobicContact CD2-CE 3.75Å; L793-M797 HydrophobicContact CD1-CG 4.38Å; C794-M797 HydrophobicContact CB-CB 3.75Å; C794-M797 WeakPolarHBondContact O-CA 3.41Å; C794-M797 WeakPolarHBondContact O-CB 3.39Å; C794-M797 PolarHBondContact O-N 3.31Å; M797-A799 PolarHBondContact O-N 3.23Å; M797-G801 VanDerWaalsContact O-CA 3.31Å; M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 3.46Å; M797-H812 HydrophobicContact CE-CB 4.43Å; M797-H812 VanDerWaalsContact CE-O 3.3Å; M797-H812 WeakPolarHBondContact CE-O 3.18Å; M797-H812 HydrophobicContact CG-CB 4.36Å; M797-M1036 HydrophobicContact CE-CB 4.26Å; M797-M1036 HydrophobicContact CE-CG 4Å; M797-M1036 HydrophobicContact CE-SD 4.34Å; M797-M1036 HydrophobicContact CG-CG 4.46Å; M797-M1036 HydrophobicContact CG-SD 3.64Å; M797-M1036 HydrophobicContact SD-SD 4.27Å
798A91Very high84Confident21 Ų2144.7 Ų44.717%0.17423%0.23CC..Hα-helixtrans-61.7-28.817500000113.3L793 C794 F1001L793-A798 HydrophobicContact CD2-CB 3.9Å; L793-A798 HydrophobicContact CG-CB 4.38Å; C794-A798 PolarHBondContact O-N 3.06Å; A798-F1001 WeakPolarHBondContact O-CZ 3.42Å
799A92.3Very high85.1Confident6 Ų649.1 Ų49.15%0.0525%0.248CC..Hα-helixtrans-87.2-39.4-178.400000114.1H795 Q796 M797H795-A799 WeakPolarHBondContact O-CB 3.46Å; H795-A799 PolarHBondContact O-N 3.35Å; Q796-A799 PolarHBondContact O-N 2.92Å; M797-A799 PolarHBondContact O-N 3.23Å
800F93.4Very high86.6Confident23 Ų2347.5 Ų47.510%0.10123%0.229CC..Hα-helixtrans-130.1-8.4-161.2-53.6-64.9000113.4Q796 D802 Q956 R962 K1032Q796-F800 HydrophobicContact CB-CD2 4.19Å; Q796-F800 HydrophobicContact CG-CD2 4.43Å; Q796-F800 WeakPolarHBondContact O-CB 3.23Å; Q796-F800 WeakPolarHBondContact O-CD2 3.12Å; Q796-F800 PolarHBondContact O-N 3.28Å; F800-D802 PolarHBondContact O-N 2.89Å; F800-Q956 HydrophobicContact CE1-CB 3.97Å; F800-Q956 HydrophobicContact CZ-CB 4.12Å; F800-R962 VanDerWaalsContact CD2-CD 3.42Å; F800-R962 HydrophobicContact CE2-CB 4.06Å; F800-R962 VanDerWaalsContact CE2-CD 3.46Å; F800-R962 HydrophobicContact CE2-CG 4.36Å; F800-K1032 WeakPolarHBondContact O-CB 3.43Å
801G92.8Very high87.8Confident11 Ų1146.1 Ų46.111%0.11322%0.219CC..SBendtrans73.44.6-175.700000114.6M797M797-G801 VanDerWaalsContact O-CA 3.31Å; M797-G801 WeakPolarHBondContact O-CA 3.46Å; M797-G801 PolarHBondContact O-N 3.46Å
802D93.4Very high88.8Confident13 Ų1338.1 Ų38.17%0.0719%0.189CC..SBendtrans-147.8162.5173.960.97.7000111.5Q796 F800 R962 K1032Q796-D802 CarbonylContact C-O 3.6Å; F800-D802 PolarHBondContact O-N 2.89Å; D802-R962 PolarHBondContact O-NH1 2.89Å; D802-R962 IonicContact OD1-CZ 2.71Å; D802-R962 IonicContact OD1-NH1 3.95Å; D802-R962 PolarHBondContact OD1-NH1 2.96Å; D802-R962 IonicContact OD1-NH2 3.74Å; D802-R962 PolarHBondContact OD1-NH2 2.78Å; D802-R962 IonicContact OD2-NH2 3.52Å; D802-R962 PolarHBondContact OD2-NH2 2.96Å; D802-K1032 HydrophobicContact CB-CD 4.48Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.38Å; D802-K1032 IonicContact OD2-NZ 3.21Å; D802-K1032 PolarHBondContact OD2-NZ 3.21Å
803C92.3Very high89.1Confident3 Ų336.7 Ų36.72%0.0218%0.178CC..  trans-123.4124.8177.1-175.70000110.7H812C803-H812 VanDerWaalsContact CB-CD2 3.5Å; C803-H812 WeakPolarHBondContact CB-CD2 3.27Å; C803-H812 WeakPolarHBondContact CB-NE2 3.47Å; C803-H812 PolarHBondContact SG-NE2 3.1Å
804L92.1Very high89.2Confident3 Ų335.6 Ų35.62%0.01617%0.172CC..  trans-113.17.4179.3-59.4-179.4000112.7W754 L772 L775 L960W754-L804 PolarHBondContact NE1-O 3.05Å; L772-L804 HydrophobicContact CB-CD2 4.33Å; L772-L804 HydrophobicContact CD2-CD1 4.21Å; L772-L804 HydrophobicContact CD2-CD2 4.45Å; L775-L804 HydrophobicContact CB-CD2 4.24Å; L804-L960 HydrophobicContact CD1-CD2 4.5Å
805R88.4Confident89.2Confident58 Ų5837.3 Ų37.322%0.21918%0.179CC..  trans-58.6142.2179.1-67.7-175.3173.4177-2.6110.7R779 Q796 K807 C808 Y810R779-R805 PolarHBondContact NE-O 2.71Å; R779-R805 PolarHBondContact NH2-O 3.03Å; Q796-R805 HydrophobicContact CG-CG 4.46Å; Q796-R805 VanDerWaalsContact NE2-CG 3.3Å; R805-K807 VanDerWaalsContact C-N 3.25Å; R805-K807 WeakPolarHBondContact CB-O 3.32Å; R805-K807 PolarHBondContact O-N 3.32Å; R805-C808 HydrophobicContact CB-CB 4.22Å; R805-Y810 VanDerWaalsContact NH1-CD2 3.28Å
806H84.4Confident89.1Confident53 Ų5339.1 Ų39.125%0.24518%0.181CC..SBendtrans-59-38.2176.3-175.3-108.6000112.7E751 W754 R779E751-H806 IonicContact OE1-CE1 3.04Å; E751-H806 IonicContact OE1-NE2 3.69Å; E751-H806 PolarHBondContact OE1-NE2 3.06Å; E751-H806 VanDerWaalsContact OE1-NE2 3.11Å; E751-H806 IonicContact OE2-CD2 3.57Å; E751-H806 IonicContact OE2-CE1 2.66Å; E751-H806 PolarHBondContact OE2-CE1 3.4Å; E751-H806 VanDerWaalsContact OE2-CE1 3.28Å; E751-H806 IonicContact OE2-NE2 3.92Å; E751-H806 PolarHBondContact OE2-NE2 2.98Å; W754-H806 HydrophobicContact CD2-CB 4.2Å; W754-H806 AromaticContact CD2-CD2 3.61Å; W754-H806 AromaticContact CE3-CD2 3.79Å; W754-H806 AromaticContact CG-CD2 3.83Å; W754-H806 HydrophobicContact CH2-CB 4.39Å; W754-H806 HydrophobicContact CZ2-CB 3.85Å; R779-H806 VanDerWaalsContact NH2-C 3.35Å; R779-H806 PolarHBondContact NH2-O 3.44Å
807K82.7Confident88.7Confident147 Ų14743 Ų4364%0.63920%0.203SC*.SBendtrans-141.8142.1167-63.9-176.8-179.2-177.50108.6R805R805-K807 VanDerWaalsContact C-N 3.25Å; R805-K807 WeakPolarHBondContact CB-O 3.32Å; R805-K807 PolarHBondContact O-N 3.32Å
808C84.7Confident88.4Confident28 Ų2843.8 Ų43.819%0.18921%0.206CC..  trans-139.3127.1178.6-1670000110.9C794 R805 H812C794-C808 VanDerWaalsContact SG-SG 3.69Å; R805-C808 HydrophobicContact CB-CB 4.22Å; C808-H812 PolarHBondContact SG-NE2 2.73Å
809M82.8Confident88.3Confident139 Ų13944.1 Ų44.169%0.68521%0.206SC*.  trans-99.40.4179.1-54.5-58.6-68.500112.7S790S790-M809 WeakPolarHBondContact CB-O 3.38Å
810Y85.6Confident88.1Confident90 Ų9050.1 Ų50.135%0.35324%0.236SC..SBendtrans-91.9158.4-177-61.6-80.3000111.2R805R805-Y810 VanDerWaalsContact NH1-CD2 3.28Å
811R88.6Confident88Confident3 Ų349.7 Ų49.71%0.01124%0.236CC..BIsolated β-bridgetrans-67.1132.1174.8171.4170.762.9105.2-5.6110.4P788 R791 S792 L793 C794 V813 W815 E818P788-R811 HydrophobicContact CB-CB 4.42Å; R791-R811 PolarHBondContact O-NE 2.96Å; R791-R811 VanDerWaalsContact O-NE 3.13Å; R791-R811 PolarHBondContact O-NH2 3.1Å; S792-R811 WeakPolarHBondContact O-CB 3.28Å; S792-R811 PolarHBondContact O-N 3.32Å; L793-R811 CarbonylContact C-O 3.56Å; L793-R811 WeakPolarHBondContact CA-O 3.32Å; L793-R811 WeakPolarHBondContact CD1-O 3.33Å; C794-R811 VanDerWaalsContact CB-O 3.3Å; C794-R811 WeakPolarHBondContact CB-O 3.34Å; C794-R811 PolarHBondContact N-O 3.38Å; R811-V813 VanDerWaalsContact CD-O 3.24Å; R811-V813 WeakPolarHBondContact CD-O 3.17Å; R811-V813 HydrophobicContact CG-CB 4.43Å; R811-V813 WeakPolarHBondContact CG-O 3.14Å; R811-V813 PolarHBondContact NH1-O 2.73Å; R811-W815 VanDerWaalsContact CZ-CD2 3.47Å; R811-W815 VanDerWaalsContact CZ-CE2 3.44Å; R811-W815 VanDerWaalsContact NH1-CG 3.26Å; R811-E818 IonicContact CZ-OE1 3.4Å; R811-E818 IonicContact CZ-OE2 3.9Å; R811-E818 IonicContact NH1-OE1 3.52Å; R811-E818 IonicContact NH1-OE2 3.62Å; R811-E818 PolarHBondContact NH1-OE2 3.12Å; R811-E818 VanDerWaalsContact NH2-CD 3.28Å; R811-E818 IonicContact NH2-OE1 2.77Å; R811-E818 PolarHBondContact NH2-OE1 3.01Å; R811-E818 IonicContact NH2-OE2 3.31Å; R811-E818 PolarHBondContact NH2-OE2 2.89Å; R811-E818 VanDerWaalsContact NH2-OE2 3.08Å
812H90.2Very high87.8Confident7 Ų750.9 Ų50.93%0.03224%0.241CC..  trans-109.423171.7-46.9108.2000112.5R779 L780 Q783 C794 M797 C803 C808R779-H812 PolarHBondContact O-ND1 3.04Å; L780-H812 HydrophobicContact CD2-CB 3.82Å; Q783-H812 PolarHBondContact OE1-ND1 3Å; C794-H812 WeakPolarHBondContact CB-CD2 3.44Å; M797-H812 HydrophobicContact CE-CB 4.43Å; M797-H812 VanDerWaalsContact CE-O 3.3Å; M797-H812 WeakPolarHBondContact CE-O 3.18Å; M797-H812 HydrophobicContact CG-CB 4.36Å; C803-H812 VanDerWaalsContact CB-CD2 3.5Å; C803-H812 WeakPolarHBondContact CB-CD2 3.27Å; C803-H812 WeakPolarHBondContact CB-NE2 3.47Å; C803-H812 PolarHBondContact SG-NE2 3.1Å; C808-H812 PolarHBondContact SG-NE2 2.73Å
813V87.4Confident87.6Confident24 Ų2457.6 Ų57.615%0.14528%0.277CS..SBendtrans-123.5124.6173.9174.90000107.8R811 K1041R811-V813 VanDerWaalsContact CD-O 3.24Å; R811-V813 WeakPolarHBondContact CD-O 3.17Å; R811-V813 HydrophobicContact CG-CB 4.43Å; R811-V813 WeakPolarHBondContact CG-O 3.14Å; R811-V813 PolarHBondContact NH1-O 2.73Å; V813-K1041 HydrophobicContact CG1-CB 3.9Å; V813-K1041 HydrophobicContact CG1-CD 3.86Å; V813-K1041 HydrophobicContact CG1-CG 3.7Å
814M88.5Confident87.6Confident2 Ų259.6 Ų59.61%0.0129%0.286CS..  trans-79141.6176.2-164.2173.9-159.600110.5E818 V819 I996 H997 M1036 V1037 S1040 K1041M814-E818 HydrophobicContact CE-CB 3.93Å; M814-E818 WeakPolarHBondContact CE-O 3.08Å; M814-E818 HydrophobicContact CG-CB 4.06Å; M814-V819 HydrophobicContact SD-CG2 4.16Å; M814-I996 HydrophobicContact CE-CG2 3.57Å; M814-I996 HydrophobicContact SD-CG2 4.1Å; M814-H997 HydrophobicContact CE-CB 3.66Å; M814-M1036 HydrophobicContact CB-CG 4.18Å; M814-M1036 HydrophobicContact SD-CE 3.86Å; M814-V1037 HydrophobicContact SD-CG2 4.21Å; M814-S1040 VanDerWaalsContact O-CA 3.22Å; M814-S1040 WeakPolarHBondContact O-CA 3.01Å; M814-S1040 WeakPolarHBondContact O-CB 3.27Å; M814-K1041 PolarHBondContact O-N 3.03Å
815W88.7Confident87.6Confident37 Ų3759.8 Ų59.814%0.1429%0.287CS..BIsolated β-bridgetrans-85.5153.6172.4-63.2-38.8000111.3R811 D817 E818 V819 K1041 C1043R811-W815 VanDerWaalsContact CZ-CD2 3.47Å; R811-W815 VanDerWaalsContact CZ-CE2 3.44Å; R811-W815 VanDerWaalsContact NH1-CG 3.26Å; W815-D817 VanDerWaalsContact C-N 3.31Å; W815-D817 WeakPolarHBondContact CB-OD1 3.43Å; W815-D817 PolarHBondContact O-N 3.47Å; W815-E818 HydrophobicContact CB-CG 4.1Å; W815-E818 HydrophobicContact CE3-CG 4.28Å; W815-E818 PolarHBondContact N-OE2 3.06Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.24Å; W815-V819 PolarHBondContact O-N 3.4Å; W815-K1041 CarbonylContact C-O 3.53Å; W815-K1041 VanDerWaalsContact CA-O 3.25Å; W815-K1041 WeakPolarHBondContact CA-O 3.5Å; W815-C1043 HydrophobicContact CB-CB 4.41Å; W815-C1043 HydrophobicContact CD2-CB 3.9Å; W815-C1043 HydrophobicContact CE3-CB 4.36Å; W815-C1043 HydrophobicContact CG-CB 3.92Å
816R88.4Confident87.9Confident139 Ų13958 Ų5853%0.52528%0.282SS..Hα-helixtrans-61.5-37-178.2-70.8-166.2-172142.41.5113.4E818 V819 K1041 D1042R816-E818 PolarHBondContact O-N 3.16Å; R816-V819 WeakPolarHBondContact O-CB 3.42Å; R816-V819 PolarHBondContact O-N 3.46Å; R816-K1041 PolarHBondContact N-O 3.03Å; R816-D1042 VanDerWaalsContact CD-OD1 3.24Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.47Å; R816-D1042 IonicContact CZ-OD1 3.92Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.23Å; R816-D1042 IonicContact CZ-OD2 3.14Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.27Å; R816-D1042 IonicContact NE-OD1 3.02Å; R816-D1042 PolarHBondContact NE-OD1 2.71Å; R816-D1042 IonicContact NH1-OD1 2.63Å; R816-D1042 PolarHBondContact NH1-OD1 2.68Å; R816-D1042 IonicContact NH1-OD2 3.25Å; R816-D1042 PolarHBondContact NH1-OD2 3.46Å; R816-D1042 IonicContact NH2-OD2 3.98Å
817D83.9Confident88.2Confident90 Ų9061 Ų6148%0.48130%0.295SS..Hα-helixtrans-68.8-21.2175.763.6-33.7000112.8W815 M1046W815-D817 VanDerWaalsContact C-N 3.31Å; W815-D817 WeakPolarHBondContact CB-OD1 3.43Å; W815-D817 PolarHBondContact O-N 3.47Å; D817-M1046 HydrophobicContact CB-CE 4.41Å
818E85.9Confident88.6Confident23 Ų2360.1 Ų60.111%0.10730%0.297CS..Hα-helixtrans-84.1-16176.6-63.7176.6142.500113.3R811 M814 W815 R816 H997R811-E818 IonicContact CZ-OE1 3.4Å; R811-E818 IonicContact CZ-OE2 3.9Å; R811-E818 IonicContact NH1-OE1 3.52Å; R811-E818 IonicContact NH1-OE2 3.62Å; R811-E818 PolarHBondContact NH1-OE2 3.12Å; R811-E818 VanDerWaalsContact NH2-CD 3.28Å; R811-E818 IonicContact NH2-OE1 2.77Å; R811-E818 PolarHBondContact NH2-OE1 3.01Å; R811-E818 IonicContact NH2-OE2 3.31Å; R811-E818 PolarHBondContact NH2-OE2 2.89Å; R811-E818 VanDerWaalsContact NH2-OE2 3.08Å; M814-E818 HydrophobicContact CE-CB 3.93Å; M814-E818 WeakPolarHBondContact CE-O 3.08Å; M814-E818 HydrophobicContact CG-CB 4.06Å; W815-E818 HydrophobicContact CB-CG 4.1Å; W815-E818 HydrophobicContact CE3-CG 4.28Å; W815-E818 PolarHBondContact N-OE2 3.06Å; W815-E818 WeakPolarHBondContact O-CB 3.46Å; W815-E818 PolarHBondContact O-N 3.24Å; R816-E818 PolarHBondContact O-N 3.16Å; E818-H997 WeakPolarHBondContact O-CA 3.33Å; E818-H997 WeakPolarHBondContact O-CB 3.46Å; E818-H997 PolarHBondContact O-N 2.66Å; E818-H997 PolarHBondContact O-ND1 2.84Å
819V88Confident89Confident28 Ų2860.3 Ų60.317%0.1730%0.304CS..Hα-helixtrans-62.8-48.5-174.6169.70000111.6M814 W815 R816 H997 V1037M814-V819 HydrophobicContact SD-CG2 4.16Å; W815-V819 PolarHBondContact O-N 3.4Å; R816-V819 WeakPolarHBondContact O-CB 3.42Å; R816-V819 PolarHBondContact O-N 3.46Å; V819-H997 PolarHBondContact O-N 2.78Å; V819-V1037 HydrophobicContact CG1-CG1 3.51Å; V819-V1037 HydrophobicContact CG1-CG2 4.49Å; V819-V1037 HydrophobicContact CG2-CG1 4.28Å
820L88.4Confident89.6Confident131 Ų13159 Ų5969%0.68630%0.299SS*.SBendtrans-78.9134-173.2-66.2176.2000111
821P89.9Confident90.1Very high14 Ų1455.2 Ų55.29%0.09129%0.285CS..PPolyproline II helixtrans-71.8154.6173.232-35.9000111.3K827 A995 H997P821-K827 HydrophobicContact CG-CG 4.27Å; P821-A995 HydrophobicContact CB-CB 3.93Å; P821-A995 HydrophobicContact CG-CB 3.95Å; P821-H997 WeakPolarHBondContact CA-O 3.28Å; P821-H997 WeakPolarHBondContact CB-O 3.24Å
822P89.7Confident90.5Very high36 Ų3660.8 Ų60.823%0.23431%0.306CS..PPolyproline II helixtrans-55.5148.6173.8-2332.6000112.2H824 Y825 H997P822-H824 PolarHBondContact O-N 2.81Å; P822-H824 VanDerWaalsContact O-N 3.1Å; P822-Y825 HydrophobicContact CB-CD2 3.75Å; P822-Y825 HydrophobicContact CB-CE2 4.08Å; P822-Y825 HydrophobicContact CB-CG 4.48Å; P822-Y825 HydrophobicContact CG-CD2 3.83Å; P822-Y825 HydrophobicContact CG-CE2 3.81Å; P822-Y825 HydrophobicContact CG-CG 4.41Å; P822-Y825 VanDerWaalsContact O-CB 3.32Å; P822-Y825 WeakPolarHBondContact O-CB 3.24Å; P822-Y825 PolarHBondContact O-N 3.34Å; P822-H997 VanDerWaalsContact CD-O 3.32Å; P822-H997 WeakPolarHBondContact CD-O 3.39Å
823D89.3Confident90.7Very high154 Ų15460.4 Ų60.482%0.82430%0.304SS*.THydrogen-bonded Turntrans-59.4-30.9-171.1-68.3-33.4000115Y825D823-Y825 VanDerWaalsContact C-N 3.27Å; D823-Y825 PolarHBondContact O-N 2.94Å
824H91.3Very high90.9Very high46 Ų4660.2 Ų60.221%0.21330%0.302CS..THydrogen-bonded Turntrans-79.4-7.2178.162.8-76.5000113.4P822 Q851 R945P822-H824 PolarHBondContact O-N 2.81Å; P822-H824 VanDerWaalsContact O-N 3.1Å; H824-Q851 PolarHBondContact O-NE2 3.28Å; H824-Q851 PolarHBondContact O-OE1 2.92Å; H824-R945 WeakPolarHBondContact NE2-CG 3.25Å; H824-R945 PolarHBondContact NE2-O 2.75Å
825Y93.8Very high91.1Very high7 Ų761.4 Ų61.43%0.02731%0.309CS..SBendtrans-77.9135.6177-83.1-130.1000110.8P822 D823 K827 R945 M948 R998 I1000P822-Y825 HydrophobicContact CB-CD2 3.75Å; P822-Y825 HydrophobicContact CB-CE2 4.08Å; P822-Y825 HydrophobicContact CB-CG 4.48Å; P822-Y825 HydrophobicContact CG-CD2 3.83Å; P822-Y825 HydrophobicContact CG-CE2 3.81Å; P822-Y825 HydrophobicContact CG-CG 4.41Å; P822-Y825 VanDerWaalsContact O-CB 3.32Å; P822-Y825 WeakPolarHBondContact O-CB 3.24Å; P822-Y825 PolarHBondContact O-N 3.34Å; D823-Y825 VanDerWaalsContact C-N 3.27Å; D823-Y825 PolarHBondContact O-N 2.94Å; Y825-K827 PolarHBondContact O-N 3.39Å; Y825-R945 HydrophobicContact CE2-CG 4.36Å; Y825-M948 HydrophobicContact CD1-SD 4.35Å; Y825-M948 HydrophobicContact CD2-CE 3.88Å; Y825-M948 HydrophobicContact CD2-SD 4.23Å; Y825-M948 HydrophobicContact CE1-CB 4.02Å; Y825-M948 HydrophobicContact CE1-CG 4Å; Y825-M948 HydrophobicContact CE1-SD 4.32Å; Y825-M948 HydrophobicContact CE2-CE 3.96Å; Y825-M948 HydrophobicContact CE2-CG 3.92Å; Y825-M948 HydrophobicContact CE2-SD 4.21Å; Y825-M948 HydrophobicContact CG-CE 4.43Å; Y825-M948 HydrophobicContact CG-SD 4.31Å; Y825-R998 WeakPolarHBondContact CE1-O 3.1Å; Y825-I1000 HydrophobicContact CD1-CD1 3.88Å; Y825-I1000 HydrophobicContact CD1-CG1 3.65Å; Y825-I1000 HydrophobicContact CE1-CD1 4.26Å; Y825-I1000 HydrophobicContact CE1-CG1 4.08Å
826P93.8Very high91.1Very high19 Ų1960.7 Ų60.712%0.12331%0.309CS..  trans-68127.1174.728.1-33000109.5I831 L848 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.76Å; P826-I831 HydrophobicContact CG-CG2 3.66Å; P826-L848 HydrophobicContact CG-CD1 3.96Å; P826-V992 HydrophobicContact CB-CG2 4.23Å; P826-V992 HydrophobicContact CG-CG2 4.17Å; P826-I1000 HydrophobicContact CG-CD1 3.85Å
827K90.1Very high91.2Very high116 Ų11656 Ų5650%0.50430%0.295SS..  trans-89.1-26.2178.8-62.9179.7-177.5175.90112.5P821 Y825P821-K827 HydrophobicContact CG-CG 4.27Å; Y825-K827 PolarHBondContact O-N 3.39Å
828N90.9Very high91.6Very high129 Ų12952.2 Ų52.269%0.6928%0.275SS*.SBendtrans-157.8171.817757.739.6000110.3
829G94.2Very high91.9Very high32 Ų3253.3 Ų53.333%0.3328%0.279SS..EExtended strand (participates in β ladder)trans95.3-178.2172.700000115.1V991 V992G829-V991 WeakPolarHBondContact O-CA 3.3Å; G829-V992 PolarHBondContact O-N 2.85Å
830L95.8Very high92.1Very high112 Ų11252.8 Ų52.859%0.58628%0.276SS*.EExtended strand (participates in β ladder)trans-80130.4178.6-177.371.8000109.9H989 V991L830-H989 HydrophobicContact CD1-CB 4.22Å; L830-V991 HydrophobicContact CD1-CG2 4.07Å
831I96.4Very high92.4Very high10 Ų1046.6 Ų46.65%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-116.8143.9174.857.9164.3000110.4P826 F833 L848 L950 H989 A990 V992 I1000P826-I831 HydrophobicContact CB-CG2 3.76Å; P826-I831 HydrophobicContact CG-CG2 3.66Å; I831-F833 HydrophobicContact CD1-CD1 3.87Å; I831-F833 HydrophobicContact CD1-CE1 4.14Å; I831-F833 HydrophobicContact CG1-CD1 4.02Å; I831-F833 HydrophobicContact CG1-CE1 4.27Å; I831-L848 HydrophobicContact CB-CD2 4.17Å; I831-L848 HydrophobicContact CD1-CD2 4.12Å; I831-L848 HydrophobicContact CG2-CD2 4.49Å; I831-L950 HydrophobicContact CD1-CD1 3.85Å; I831-H989 WeakPolarHBondContact O-CA 3.43Å; I831-H989 WeakPolarHBondContact O-CB 3.41Å; I831-A990 HydrophobicContact CG1-CB 4.28Å; I831-A990 VanDerWaalsContact CG1-O 3.27Å; I831-A990 WeakPolarHBondContact CG1-O 3.32Å; I831-A990 PolarHBondContact N-O 3.17Å; I831-A990 PolarHBondContact O-N 3.08Å; I831-A990 VanDerWaalsContact O-N 3.12Å; I831-V992 HydrophobicContact CB-CG2 4.46Å; I831-V992 HydrophobicContact CD1-CG2 3.97Å; I831-V992 HydrophobicContact CG1-CG2 4.02Å; I831-V992 HydrophobicContact CG2-CG2 3.62Å; I831-I1000 HydrophobicContact CD1-CG2 4.46Å
832R95.4Very high92.6Very high120 Ų12046.2 Ų46.245%0.45324%0.242SC..EExtended strand (participates in β ladder)trans-112.9133.1168.7-66.6-177.7-68.8-139.54.3109.9L848 S849 D850 F988 H989R832-L848 CarbonylContact O-C 3.51Å; R832-L848 WeakPolarHBondContact O-CA 3.24Å; R832-S849 PolarHBondContact O-N 3.28Å; R832-D850 IonicContact CZ-OD1 3.37Å; R832-D850 VanDerWaalsContact CZ-OD1 3.31Å; R832-D850 IonicContact CZ-OD2 3.4Å; R832-D850 IonicContact NE-OD1 3.37Å; R832-D850 PolarHBondContact NE-OD1 3.45Å; R832-D850 VanDerWaalsContact NE-OD1 3.07Å; R832-D850 IonicContact NE-OD2 3.24Å; R832-D850 PolarHBondContact NE-OD2 3.44Å; R832-D850 VanDerWaalsContact NE-OD2 3.11Å; R832-D850 VanDerWaalsContact NH2-CG 3.34Å; R832-D850 IonicContact NH2-OD1 2.74Å; R832-D850 PolarHBondContact NH2-OD1 2.99Å; R832-D850 IonicContact NH2-OD2 2.84Å; R832-D850 PolarHBondContact NH2-OD2 2.83Å; R832-F988 CarbonylContact C-O 3.59Å; R832-F988 WeakPolarHBondContact CA-O 3.16Å; R832-H989 HydrophobicContact CG-CB 4.33Å
833F94.5Very high92.8Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-149.7161-171.960.7-91.9000113.5I831 V835 V846 R847 L848 L950 F988 A990 I1005I831-F833 HydrophobicContact CD1-CD1 3.87Å; I831-F833 HydrophobicContact CD1-CE1 4.14Å; I831-F833 HydrophobicContact CG1-CD1 4.02Å; I831-F833 HydrophobicContact CG1-CE1 4.27Å; F833-V835 HydrophobicContact CD2-CG2 4.29Å; F833-V835 HydrophobicContact CE2-CG2 4Å; F833-V846 HydrophobicContact CB-CB 4.14Å; F833-V846 HydrophobicContact CB-CG2 4.35Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.53Å; F833-V846 HydrophobicContact CD2-CG2 4.32Å; F833-V846 HydrophobicContact CE2-CB 4.38Å; F833-V846 HydrophobicContact CE2-CG1 3.74Å; F833-V846 HydrophobicContact CG-CB 4.1Å; F833-V846 HydrophobicContact CG-CG1 4.35Å; F833-V846 HydrophobicContact CG-CG2 4.35Å; F833-R847 CarbonylContact C-O 3.57Å; F833-R847 WeakPolarHBondContact CA-O 3.4Å; F833-R847 WeakPolarHBondContact CB-O 3.23Å; F833-L848 HydrophobicContact CB-CD2 4.18Å; F833-L950 HydrophobicContact CE1-CD2 3.91Å; F833-L950 HydrophobicContact CE2-CD2 3.78Å; F833-L950 HydrophobicContact CZ-CD2 3.43Å; F833-L950 VanDerWaalsContact CZ-CD2 3.43Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.33Å; F833-F988 HydrophobicContact CE2-CB 3.56Å; F833-F988 HydrophobicContact CE2-CG 4.4Å; F833-F988 HydrophobicContact CZ-CB 3.73Å; F833-F988 PolarHBondContact N-O 3.44Å; F833-F988 PolarHBondContact O-N 2.79Å; F833-A990 HydrophobicContact CE1-CB 3.77Å; F833-A990 HydrophobicContact CZ-CB 4.35Å; F833-I1005 HydrophobicContact CE2-CG2 4.36Å; F833-I1005 HydrophobicContact CZ-CD1 4.26Å; F833-I1005 HydrophobicContact CZ-CG1 4.2Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å
834L92.3Very high93.1Very high19 Ų1937.9 Ų37.910%0.09920%0.198CC..EExtended strand (participates in β ladder)trans-103.9135.1169.3-176.964000109L836 V846 R847 P862 R986L834-L836 PolarHBondContact O-N 2.67Å; L834-V846 CarbonylContact O-C 3.5Å; L834-V846 VanDerWaalsContact O-CA 3.27Å; L834-V846 WeakPolarHBondContact O-CA 3.42Å; L834-R847 PolarHBondContact N-O 3.41Å; L834-R847 PolarHBondContact O-N 3.34Å; L834-P862 HydrophobicContact CD2-CB 3.58Å; L834-P862 HydrophobicContact CD2-CG 3.42Å; L834-P862 VanDerWaalsContact CD2-CG 3.42Å; L834-R986 WeakPolarHBondContact CD1-O 3.4Å
835V91.9Very high93.3Very high27 Ų2735.7 Ų35.716%0.16419%0.187CC..EExtended strand (participates in β ladder)trans-79.7117.5173.7178.60000109F833 L844 F977 F988F833-V835 HydrophobicContact CD2-CG2 4.29Å; F833-V835 HydrophobicContact CE2-CG2 4Å; V835-L844 HydrophobicContact CG2-CD1 4.28Å; V835-F977 HydrophobicContact CB-CD1 4.46Å; V835-F977 HydrophobicContact CG1-CD1 4.49Å; V835-F977 HydrophobicContact CG1-CG 4.48Å; V835-F977 HydrophobicContact CG2-CD1 3.9Å; V835-F977 HydrophobicContact CG2-CE1 3.76Å; V835-F977 HydrophobicContact CG2-CZ 4.37Å; V835-F988 HydrophobicContact CB-CE2 4.49Å; V835-F988 HydrophobicContact CG2-CD2 3.71Å; V835-F988 HydrophobicContact CG2-CE2 3.97Å; V835-F988 HydrophobicContact CG2-CG 4.29Å
836L89.9Confident93.4Very high23 Ų2335.4 Ų35.412%0.1219%0.186CC..EExtended strand (participates in β ladder)trans-87.7-50176.5-58.6175.4000110.4L834 A845 R847 F861 P862 D920 T921 A947L834-L836 PolarHBondContact O-N 2.67Å; L836-A845 WeakPolarHBondContact CB-O 3.45Å; L836-A845 PolarHBondContact N-O 3.45Å; L836-R847 HydrophobicContact CD1-CB 3.99Å; L836-R847 HydrophobicContact CD2-CB 4.23Å; L836-R847 HydrophobicContact CG-CB 4.17Å; L836-F861 HydrophobicContact CD2-CZ 4.18Å; L836-P862 HydrophobicContact CD2-CG 4.49Å; L836-D920 WeakPolarHBondContact CD1-O 3.25Å; L836-T921 WeakPolarHBondContact CB-O 3.36Å; L836-A947 HydrophobicContact CD1-CB 3.87Å
837V90.5Very high93.4Very high40 Ų4034.7 Ų34.724%0.24218%0.181CC..EExtended strand (participates in β ladder)trans-139.5140.8-179.8-169.80000110.3Y839 L844 A845V837-Y839 HydrophobicContact CB-CD1 4.45Å; V837-Y839 HydrophobicContact CB-CE1 3.8Å; V837-Y839 HydrophobicContact CG1-CD1 3.73Å; V837-Y839 HydrophobicContact CG1-CE1 3.37Å; V837-L844 CarbonylContact O-C 3.56Å; V837-L844 WeakPolarHBondContact O-CA 3.41Å; V837-A845 HydrophobicContact CB-CB 4.16Å; V837-A845 PolarHBondContact N-O 2.77Å; V837-A845 VanDerWaalsContact N-O 3.16Å; V837-A845 PolarHBondContact O-N 2.93Å
838C92.3Very high93.6Very high10 Ų1029.4 Ų29.47%0.06816%0.158CC..EExtended strand (participates in β ladder)trans-106.6101.4172.2171.90000109L844 R969 R973 F977C838-L844 HydrophobicContact CB-CD2 3.87Å; C838-R969 VanDerWaalsContact O-CD 3.29Å; C838-R969 WeakPolarHBondContact O-CD 3.41Å; C838-R969 VanDerWaalsContact O-CG 3.32Å; C838-R969 WeakPolarHBondContact O-CG 3.31Å; C838-R973 HydrophobicContact CB-CB 4.42Å; C838-F977 HydrophobicContact CB-CD2 4.1Å; C838-F977 HydrophobicContact CB-CE2 4.07Å
839Y91.4Very high93.7Very high47 Ų4724.1 Ų24.118%0.18413%0.131CC..EExtended strand (participates in β ladder)trans-77.3-39.5179.3-55.9-52.1000112V837 A843 A845 S922 T923 E924 R969V837-Y839 HydrophobicContact CB-CD1 4.45Å; V837-Y839 HydrophobicContact CB-CE1 3.8Å; V837-Y839 HydrophobicContact CG1-CD1 3.73Å; V837-Y839 HydrophobicContact CG1-CE1 3.37Å; Y839-A843 WeakPolarHBondContact CB-O 3.45Å; Y839-A843 PolarHBondContact N-O 2.78Å; Y839-A845 HydrophobicContact CE2-CB 3.7Å; Y839-A845 VanDerWaalsContact OH-CB 3.23Å; Y839-A845 WeakPolarHBondContact OH-CB 3.47Å; Y839-S922 PolarHBondContact OH-OG 3.32Å; Y839-T923 WeakPolarHBondContact CE2-OG1 3.29Å; Y839-T923 PolarHBondContact OH-N 2.9Å; Y839-T923 PolarHBondContact OH-OG1 2.76Å; Y839-T923 VanDerWaalsContact OH-OG1 3.04Å; Y839-E924 HydrophobicContact CD1-CG 4.12Å; Y839-E924 HydrophobicContact CE1-CG 3.37Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.48Å; Y839-E924 PolarHBondContact OH-N 2.91Å; Y839-R969 WeakPolarHBondContact O-CD 3.38Å; Y839-R969 WeakPolarHBondContact O-CG 3.46Å
840S93Very high93.5Very high16 Ų1627.1 Ų27.111%0.11214%0.14CC..EExtended strand (participates in β ladder)trans-156.3170.7176.276.30000110A842 A843 W964S840-A842 PolarHBondContact O-N 3.11Å; S840-A842 PolarHBondContact OG-N 2.6Å; S840-A843 PolarHBondContact N-O 3.24Å; S840-A843 PolarHBondContact O-N 3.03Å; S840-A843 VanDerWaalsContact O-O 3.1Å; S840-A843 PolarHBondContact OG-N 3.27Å; S840-A843 VanDerWaalsContact OG-N 3.12Å; S840-W964 VanDerWaalsContact CB-CD1 3.48Å
841P93.7Very high93.2Very high1 Ų125.9 Ų25.91%0.00613%0.131CC..THydrogen-bonded Turntrans-52.6-20.6170.6-30.339.2000115.3W964 A968 V972 V1017P841-W964 HydrophobicContact CB-CD2 4.17Å; P841-W964 HydrophobicContact CB-CE3 4.09Å; P841-W964 HydrophobicContact CB-CH2 4.07Å; P841-W964 HydrophobicContact CB-CZ2 4.2Å; P841-W964 HydrophobicContact CB-CZ3 4.03Å; P841-W964 HydrophobicContact CG-CD2 3.82Å; P841-W964 HydrophobicContact CG-CE3 3.56Å; P841-W964 HydrophobicContact CG-CG 4.33Å; P841-W964 HydrophobicContact CG-CH2 4.42Å; P841-W964 HydrophobicContact CG-CZ3 3.88Å; P841-A968 HydrophobicContact CG-CB 4.02Å; P841-V972 HydrophobicContact CB-CG2 4.05Å; P841-V972 HydrophobicContact CG-CG2 3.94Å; P841-V1017 HydrophobicContact CB-CG1 3.96Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å
842A94.4Very high93Very high7 Ų726.7 Ų26.76%0.05813%0.134CC..THydrogen-bonded Turntrans-115.6-1.8-177.500000114.6S840 R951 I952 L955 W964S840-A842 PolarHBondContact O-N 3.11Å; S840-A842 PolarHBondContact OG-N 2.6Å; A842-R951 VanDerWaalsContact O-CA 3.24Å; A842-R951 WeakPolarHBondContact O-CA 3.36Å; A842-I952 PolarHBondContact O-N 2.79Å; A842-L955 HydrophobicContact CB-CB 3.98Å; A842-L955 HydrophobicContact CB-CD2 3.91Å; A842-L955 HydrophobicContact CB-CG 3.95Å; A842-L955 VanDerWaalsContact CB-O 3.32Å; A842-L955 WeakPolarHBondContact CB-O 3.22Å; A842-W964 HydrophobicContact CB-CZ2 4.38Å
843A94.7Very high92.8Very high13 Ų1324.2 Ų24.211%0.10713%0.134CC..EExtended strand (participates in β ladder)trans-144.2127.9-174.400000111.9Y839 S840 R951Y839-A843 WeakPolarHBondContact CB-O 3.45Å; Y839-A843 PolarHBondContact N-O 2.78Å; S840-A843 PolarHBondContact N-O 3.24Å; S840-A843 PolarHBondContact O-N 3.03Å; S840-A843 VanDerWaalsContact O-O 3.1Å; S840-A843 PolarHBondContact OG-N 3.27Å; S840-A843 VanDerWaalsContact OG-N 3.12Å; A843-R951 HydrophobicContact CB-CG 4.11Å
844L95.4Very high92.6Very high2 Ų226.6 Ų26.61%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-136150.2-172.9-50.5175.1000110.4V835 V837 C838 V846 L950 F977 I1005V835-L844 HydrophobicContact CG2-CD1 4.28Å; V837-L844 CarbonylContact O-C 3.56Å; V837-L844 WeakPolarHBondContact O-CA 3.41Å; C838-L844 HydrophobicContact CB-CD2 3.87Å; L844-V846 HydrophobicContact CB-CG1 3.88Å; L844-V846 HydrophobicContact CD1-CG1 4.44Å; L844-L950 HydrophobicContact CD1-CD2 4.39Å; L844-L950 PolarHBondContact N-O 3.2Å; L844-L950 PolarHBondContact O-N 3.01Å; L844-F977 HydrophobicContact CD1-CE1 4.25Å; L844-F977 HydrophobicContact CD1-CE2 4.36Å; L844-F977 HydrophobicContact CD1-CZ 3.6Å; L844-F977 HydrophobicContact CD2-CE2 3.6Å; L844-F977 HydrophobicContact CD2-CZ 3.7Å; L844-F977 HydrophobicContact CG-CZ 4.33Å; L844-I1005 HydrophobicContact CD1-CD1 3.4Å; L844-I1005 HydrophobicContact CG-CD1 4.49Å
845A95.1Very high92.4Very high0 Ų027.9 Ų27.90%016%0.162CC..EExtended strand (participates in β ladder)trans-94.4128.5156.400000109.3L836 V837 Y839 T923 M948L836-A845 WeakPolarHBondContact CB-O 3.45Å; L836-A845 PolarHBondContact N-O 3.45Å; V837-A845 HydrophobicContact CB-CB 4.16Å; V837-A845 PolarHBondContact N-O 2.77Å; V837-A845 VanDerWaalsContact N-O 3.16Å; V837-A845 PolarHBondContact O-N 2.93Å; Y839-A845 HydrophobicContact CE2-CB 3.7Å; Y839-A845 VanDerWaalsContact OH-CB 3.23Å; Y839-A845 WeakPolarHBondContact OH-CB 3.47Å; A845-T923 HydrophobicContact CB-CG2 4.32Å; A845-M948 WeakPolarHBondContact CA-O 3.07Å
846V95.1Very high92.2Very high0 Ų029.9 Ų29.90%017%0.171CC..EExtended strand (participates in β ladder)trans-130.4156.7-175.7-54.70000111.3F833 L834 L844 M948 L950F833-V846 HydrophobicContact CB-CB 4.14Å; F833-V846 HydrophobicContact CB-CG2 4.35Å; F833-V846 HydrophobicContact CD2-CB 3.67Å; F833-V846 HydrophobicContact CD2-CG1 3.53Å; F833-V846 HydrophobicContact CD2-CG2 4.32Å; F833-V846 HydrophobicContact CE2-CB 4.38Å; F833-V846 HydrophobicContact CE2-CG1 3.74Å; F833-V846 HydrophobicContact CG-CB 4.1Å; F833-V846 HydrophobicContact CG-CG1 4.35Å; F833-V846 HydrophobicContact CG-CG2 4.35Å; L834-V846 CarbonylContact O-C 3.5Å; L834-V846 VanDerWaalsContact O-CA 3.27Å; L834-V846 WeakPolarHBondContact O-CA 3.42Å; L844-V846 HydrophobicContact CB-CG1 3.88Å; L844-V846 HydrophobicContact CD1-CG1 4.44Å; V846-M948 HydrophobicContact CG2-CB 4.29Å; V846-M948 PolarHBondContact N-O 2.87Å; V846-M948 PolarHBondContact O-N 2.94Å; V846-L950 HydrophobicContact CG1-CB 3.91Å; V846-L950 HydrophobicContact CG1-CD2 3.91Å; V846-L950 HydrophobicContact CG2-CB 3.78Å; V846-L950 HydrophobicContact CG2-CD2 4.42Å
847R94.4Very high91.9Very high4 Ų432.5 Ų32.52%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-120.7127169.5-178.2171.669.5-173.8-0.9110.4F833 L834 L836 S849 F852 T854 P862 E946F833-R847 CarbonylContact C-O 3.57Å; F833-R847 WeakPolarHBondContact CA-O 3.4Å; F833-R847 WeakPolarHBondContact CB-O 3.23Å; L834-R847 PolarHBondContact N-O 3.41Å; L834-R847 PolarHBondContact O-N 3.34Å; L836-R847 HydrophobicContact CD1-CB 3.99Å; L836-R847 HydrophobicContact CD2-CB 4.23Å; L836-R847 HydrophobicContact CG-CB 4.17Å; R847-S849 PolarHBondContact O-N 3.24Å; R847-F852 HydrophobicContact CG-CB 3.65Å; R847-F852 HydrophobicContact CG-CD2 4.31Å; R847-F852 HydrophobicContact CG-CG 4.4Å; R847-F852 PolarHBondContact NE-O 2.93Å; R847-T854 PolarHBondContact NH2-OG1 3Å; R847-P862 PolarHBondContact NH2-O 3.01Å; R847-E946 WeakPolarHBondContact CD-OE2 3.45Å; R847-E946 HydrophobicContact CG-CB 4.28Å; R847-E946 IonicContact NH1-OE2 2.74Å; R847-E946 PolarHBondContact NH1-OE2 2.87Å
848L94.8Very high91.5Very high5 Ų533.6 Ų33.63%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-67.9117.5179.2-58.4-175.9000110.2P826 I831 R832 F833 D850 Q851 F852 M948P826-L848 HydrophobicContact CG-CD1 3.96Å; I831-L848 HydrophobicContact CB-CD2 4.17Å; I831-L848 HydrophobicContact CD1-CD2 4.12Å; I831-L848 HydrophobicContact CG2-CD2 4.49Å; R832-L848 CarbonylContact O-C 3.51Å; R832-L848 WeakPolarHBondContact O-CA 3.24Å; F833-L848 HydrophobicContact CB-CD2 4.18Å; L848-D850 VanDerWaalsContact C-N 3.31Å; L848-D850 PolarHBondContact O-N 3.16Å; L848-Q851 HydrophobicContact CB-CB 4.26Å; L848-Q851 HydrophobicContact CB-CG 4.42Å; L848-Q851 HydrophobicContact CD1-CG 4.44Å; L848-Q851 PolarHBondContact O-N 3.31Å; L848-F852 HydrophobicContact CB-CD2 4.43Å; L848-F852 PolarHBondContact O-N 3.47Å; L848-M948 HydrophobicContact CD1-CE 3.71Å; L848-M948 HydrophobicContact CD1-SD 3.57Å; L848-M948 VanDerWaalsContact CD1-SD 3.57Å; L848-M948 HydrophobicContact CD2-SD 4.31Å; L848-M948 HydrophobicContact CG-CE 4.11Å; L848-M948 HydrophobicContact CG-SD 3.67Å
849S91.5Very high90.9Very high18 Ų1838.4 Ų38.413%0.12621%0.205CC..THydrogen-bonded Turntrans-70.3-29.7-174-63.80000112.7R832 R847R832-S849 PolarHBondContact O-N 3.28Å; R847-S849 PolarHBondContact O-N 3.24Å
850D90.3Very high90.3Very high95 Ų9542.5 Ų42.551%0.50823%0.231SC..THydrogen-bonded Turntrans-76-26-180-62.7-39.1000112.8R832 L848R832-D850 IonicContact CZ-OD1 3.37Å; R832-D850 VanDerWaalsContact CZ-OD1 3.31Å; R832-D850 IonicContact CZ-OD2 3.4Å; R832-D850 IonicContact NE-OD1 3.37Å; R832-D850 PolarHBondContact NE-OD1 3.45Å; R832-D850 VanDerWaalsContact NE-OD1 3.07Å; R832-D850 IonicContact NE-OD2 3.24Å; R832-D850 PolarHBondContact NE-OD2 3.44Å; R832-D850 VanDerWaalsContact NE-OD2 3.11Å; R832-D850 VanDerWaalsContact NH2-CG 3.34Å; R832-D850 IonicContact NH2-OD1 2.74Å; R832-D850 PolarHBondContact NH2-OD1 2.99Å; R832-D850 IonicContact NH2-OD2 2.84Å; R832-D850 PolarHBondContact NH2-OD2 2.83Å; L848-D850 VanDerWaalsContact C-N 3.31Å; L848-D850 PolarHBondContact O-N 3.16Å
851Q90.9Very high89.7Confident87 Ų8743.3 Ų43.341%0.40723%0.232SC..THydrogen-bonded Turntrans-99-38.4179.5-63.6-175.71300112.3H824 L848 P853H824-Q851 PolarHBondContact O-NE2 3.28Å; H824-Q851 PolarHBondContact O-OE1 2.92Å; L848-Q851 HydrophobicContact CB-CB 4.26Å; L848-Q851 HydrophobicContact CB-CG 4.42Å; L848-Q851 HydrophobicContact CD1-CG 4.44Å; L848-Q851 PolarHBondContact O-N 3.31Å; Q851-P853 WeakPolarHBondContact O-CD 3.16Å
852F92.4Very high89.3Confident26 Ų2643.9 Ų43.911%0.11424%0.236CC..SBendtrans-129.474.6-173.9-49.2-68.9000109.5R847 L848 P944 E946 M948R847-F852 HydrophobicContact CG-CB 3.65Å; R847-F852 HydrophobicContact CG-CD2 4.31Å; R847-F852 HydrophobicContact CG-CG 4.4Å; R847-F852 PolarHBondContact NE-O 2.93Å; L848-F852 HydrophobicContact CB-CD2 4.43Å; L848-F852 PolarHBondContact O-N 3.47Å; F852-P944 HydrophobicContact CE1-CG 3.97Å; F852-P944 HydrophobicContact CZ-CG 4.06Å; F852-E946 HydrophobicContact CB-CG 4.32Å; F852-E946 HydrophobicContact CD1-CG 3.83Å; F852-E946 HydrophobicContact CD2-CB 4.4Å; F852-E946 HydrophobicContact CD2-CG 4.46Å; F852-E946 HydrophobicContact CE1-CG 4.26Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.94Å; F852-M948 HydrophobicContact CE2-CE 3.94Å
853P91Very high89Confident69 Ų6944.3 Ų44.345%0.44824%0.237SC..  trans-63.2156-178.726.9-34.4000111.5Q851 A855 S864Q851-P853 WeakPolarHBondContact O-CD 3.16Å; P853-A855 PolarHBondContact O-N 2.93Å; P853-S864 WeakPolarHBondContact O-CA 3.21Å
854T89.3Confident88.9Confident50 Ų5043.8 Ų43.831%0.30723%0.233SC..  trans-79.3117.3174.7-57.20000109R847 P862 M863R847-T854 PolarHBondContact NH2-OG1 3Å; T854-P862 HydrophobicContact CG2-CB 3.66Å; T854-M863 CarbonylContact C-O 3.5Å; T854-M863 WeakPolarHBondContact CA-O 2.85Å
855A88.3Confident88.7Confident46 Ų4648.3 Ų48.338%0.3826%0.256SS..  trans-84.5-49.7177.800000111.6P853 M863 D865P853-A855 PolarHBondContact O-N 2.93Å; A855-M863 PolarHBondContact N-O 3.05Å; A855-D865 WeakPolarHBondContact CB-OD1 3.26Å
856I87.4Confident88.6Confident68 Ų6848.8 Ų48.835%0.34926%0.259SS..EExtended strand (participates in β ladder)trans-144.3161.1-174.7-169.3166.2000111.1M863 E868I856-M863 HydrophobicContact CG2-CB 4.06Å; I856-M863 HydrophobicContact CG2-CE 3.62Å; I856-M863 PolarHBondContact N-O 2.98Å; I856-M863 PolarHBondContact O-N 2.85Å; I856-E868 HydrophobicContact CG2-CB 3.96Å; I856-E868 HydrophobicContact CG2-CG 4.12Å
857R83.3Confident88.5Confident79 Ų7949.4 Ų49.430%0.29827%0.266SS..EExtended strand (participates in β ladder)trans-110.1118.9167.8-72.5-179.2172.4-87.1-13.9110.7N860 F861 R984 N985R857-N860 PolarHBondContact NH1-O 2.85Å; R857-F861 CarbonylContact C-O 3.57Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.46Å; R857-R984 PolarHBondContact NH2-O 3.46Å; R857-N985 PolarHBondContact NE-OD1 3.4Å; R857-N985 PolarHBondContact NH2-OD1 2.8Å
858F82.1Confident88.5Confident63 Ų6350.7 Ų50.728%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-112.8123.3176179.7-97.1000109.7N860 F861 M863 R899F858-N860 PolarHBondContact O-N 3.47Å; F858-F861 PolarHBondContact N-O 2.72Å; F858-F861 WeakPolarHBondContact O-CA 3.46Å; F858-F861 VanDerWaalsContact O-CB 3.29Å; F858-F861 WeakPolarHBondContact O-CB 3.46Å; F858-F861 PolarHBondContact O-N 3.01Å; F858-M863 HydrophobicContact CB-CE 3.19Å; F858-M863 HydrophobicContact CB-CG 4.39Å; F858-M863 HydrophobicContact CB-SD 3.74Å; F858-M863 HydrophobicContact CD1-SD 4.47Å; F858-M863 HydrophobicContact CG-CE 3.92Å; F858-M863 HydrophobicContact CG-SD 4.33Å; F858-R899 HydrophobicContact CD1-CG 3.87Å; F858-R899 HydrophobicContact CE1-CG 3.89Å
859L80.7Confident88.5Confident110 Ų11056.4 Ų56.458%0.57629%0.293SS*.THydrogen-bonded Turntrans49.744.2-173-56.8176.8000112.4F861 N898L859-F861 PolarHBondContact O-N 3.08Å; L859-F861 VanDerWaalsContact O-N 3.16Å; L859-N898 HydrophobicContact CD1-CB 3.98Å
860N78.2Confident88.6Confident134 Ų13455.7 Ų55.772%0.71729%0.288SS*.THydrogen-bonded Turntrans64.72.5-173.6-61.9-52.6000116.4R857 F858R857-N860 PolarHBondContact NH1-O 2.85Å; F858-N860 PolarHBondContact O-N 3.47Å
861F80.3Confident88.8Confident32 Ų3251.6 Ų51.614%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-91.4131.4177.4-167.3-92.1000112.1L836 R857 F858 L859 M863 T921L836-F861 HydrophobicContact CD2-CZ 4.18Å; R857-F861 CarbonylContact C-O 3.57Å; R857-F861 VanDerWaalsContact CA-O 3.25Å; R857-F861 WeakPolarHBondContact CA-O 3.46Å; F858-F861 PolarHBondContact N-O 2.72Å; F858-F861 WeakPolarHBondContact O-CA 3.46Å; F858-F861 VanDerWaalsContact O-CB 3.29Å; F858-F861 WeakPolarHBondContact O-CB 3.46Å; F858-F861 PolarHBondContact O-N 3.01Å; L859-F861 PolarHBondContact O-N 3.08Å; L859-F861 VanDerWaalsContact O-N 3.16Å; F861-M863 HydrophobicContact CD1-CG 4.23Å; F861-M863 PolarHBondContact O-N 3.08Å; F861-T921 HydrophobicContact CD1-CG2 4.42Å; F861-T921 HydrophobicContact CE1-CG2 3.44Å; F861-T921 VanDerWaalsContact CE1-CG2 3.44Å; F861-T921 HydrophobicContact CZ-CG2 3.7Å
862P84.9Confident88.9Confident14 Ų1455.5 Ų55.59%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-73.7117.1179.230.8-33.9000111.3L834 L836 R847 T854L834-P862 HydrophobicContact CD2-CB 3.58Å; L834-P862 HydrophobicContact CD2-CG 3.42Å; L834-P862 VanDerWaalsContact CD2-CG 3.42Å; L836-P862 HydrophobicContact CD2-CG 4.49Å; R847-P862 PolarHBondContact NH2-O 3.01Å; T854-P862 HydrophobicContact CG2-CB 3.66Å
863M88.2Confident89.1Confident15 Ų1556.4 Ų56.47%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-107.6149.2175.7-61.6-167-5200110.8T854 A855 I856 F858 F861 Q871T854-M863 CarbonylContact C-O 3.5Å; T854-M863 WeakPolarHBondContact CA-O 2.85Å; A855-M863 PolarHBondContact N-O 3.05Å; I856-M863 HydrophobicContact CG2-CB 4.06Å; I856-M863 HydrophobicContact CG2-CE 3.62Å; I856-M863 PolarHBondContact N-O 2.98Å; I856-M863 PolarHBondContact O-N 2.85Å; F858-M863 HydrophobicContact CB-CE 3.19Å; F858-M863 HydrophobicContact CB-CG 4.39Å; F858-M863 HydrophobicContact CB-SD 3.74Å; F858-M863 HydrophobicContact CD1-SD 4.47Å; F858-M863 HydrophobicContact CG-CE 3.92Å; F858-M863 HydrophobicContact CG-SD 4.33Å; F861-M863 HydrophobicContact CD1-CG 4.23Å; F861-M863 PolarHBondContact O-N 3.08Å; M863-Q871 HydrophobicContact CE-CB 4.44Å; M863-Q871 HydrophobicContact SD-CB 4.47Å
864S92.3Very high89.3Confident3 Ų353.1 Ų53.12%0.02126%0.26CS..  trans-85177.6170.160.60000109.7P853 L866 G867 E868 E946P853-S864 WeakPolarHBondContact O-CA 3.21Å; S864-L866 PolarHBondContact O-N 3.29Å; S864-L866 PolarHBondContact OG-N 3.44Å; S864-G867 PolarHBondContact O-N 3.13Å; S864-G867 PolarHBondContact OG-N 2.93Å; S864-E868 WeakPolarHBondContact O-CB 3.46Å; S864-E868 PolarHBondContact O-N 3.27Å; S864-E946 WeakPolarHBondContact CB-OE1 3.29Å; S864-E946 WeakPolarHBondContact CB-OE2 3.35Å; S864-E946 PolarHBondContact OG-OE1 2.71Å; S864-E946 PolarHBondContact OG-OE2 2.97Å
865D92.8Very high89.5Confident96 Ų9655 Ų5551%0.51327%0.265SS..Hα-helixtrans-56.7-36.4169.7-63.8-39.4000111.7A855 R869A855-D865 WeakPolarHBondContact CB-OD1 3.26Å; D865-R869 WeakPolarHBondContact O-CB 3.12Å; D865-R869 VanDerWaalsContact O-CG 3.26Å; D865-R869 WeakPolarHBondContact O-CG 3.4Å; D865-R869 PolarHBondContact O-N 2.99Å
866L93.3Very high89.9Confident10 Ų1058 Ų585%0.05227%0.274CS..Hα-helixtrans-69.5-48.5176.6178.661.2000111.6S864 E868 R869 V870 R902 F940 E946S864-L866 PolarHBondContact O-N 3.29Å; S864-L866 PolarHBondContact OG-N 3.44Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 3.11Å; L866-R869 PolarHBondContact O-N 3.33Å; L866-R869 VanDerWaalsContact O-N 3.14Å; L866-V870 HydrophobicContact CD1-CG2 4.17Å; L866-V870 HydrophobicContact CG-CG2 4.45Å; L866-V870 WeakPolarHBondContact O-CG2 3.46Å; L866-V870 PolarHBondContact O-N 2.87Å; L866-R902 VanDerWaalsContact CD2-CZ 3.4Å; L866-F940 HydrophobicContact CD1-CD1 3.92Å; L866-E946 WeakPolarHBondContact CB-OE1 3.5Å
867G92.4Very high90.1Very high14 Ų1462 Ų6214%0.14429%0.291CS..Hα-helixtrans-58.1-39.5177.100000112.2S864 Q871S864-G867 PolarHBondContact O-N 3.13Å; S864-G867 PolarHBondContact OG-N 2.93Å; G867-Q871 WeakPolarHBondContact O-CB 3.37Å; G867-Q871 PolarHBondContact O-N 3.46Å
868E93.3Very high90.6Very high31 Ų3162 Ų6215%0.14531%0.309CS..Hα-helixtrans-64.2-45.5174179169.9-146.600112.7I856 S864 L866 Q871 R872I856-E868 HydrophobicContact CG2-CB 3.96Å; I856-E868 HydrophobicContact CG2-CG 4.12Å; S864-E868 WeakPolarHBondContact O-CB 3.46Å; S864-E868 PolarHBondContact O-N 3.27Å; L866-E868 VanDerWaalsContact C-N 3.25Å; L866-E868 PolarHBondContact O-N 3.11Å; E868-Q871 PolarHBondContact O-N 3.36Å; E868-R872 HydrophobicContact CG-CG 4.41Å; E868-R872 WeakPolarHBondContact O-CB 3.19Å; E868-R872 WeakPolarHBondContact O-CG 3.27Å; E868-R872 PolarHBondContact O-N 2.61Å; E868-R872 IonicContact OE1-CZ 3.73Å; E868-R872 IonicContact OE1-NE 3.59Å; E868-R872 PolarHBondContact OE1-NE 3.09Å; E868-R872 IonicContact OE1-NH2 2.89Å; E868-R872 PolarHBondContact OE1-NH2 2.61Å
869R94.6Very high91.1Very high125 Ų12560.9 Ų60.947%0.47231%0.306SS..Hα-helixtrans-63.6-41.9177.4-73.4-174.5-56.7153.84.5112.1D865 L866 H873 F940D865-R869 WeakPolarHBondContact O-CB 3.12Å; D865-R869 VanDerWaalsContact O-CG 3.26Å; D865-R869 WeakPolarHBondContact O-CG 3.4Å; D865-R869 PolarHBondContact O-N 2.99Å; L866-R869 PolarHBondContact O-N 3.33Å; L866-R869 VanDerWaalsContact O-N 3.14Å; R869-H873 VanDerWaalsContact O-CB 3.27Å; R869-H873 WeakPolarHBondContact O-CB 2.9Å; R869-H873 PolarHBondContact O-N 2.92Å; R869-F940 HydrophobicContact CB-CE1 3.97Å; R869-F940 HydrophobicContact CB-CZ 4.41Å
870V94.7Very high91.7Very high2 Ų258.5 Ų58.51%0.01229%0.289CS..Hα-helixtrans-62.2-49.2175.5172.70000109.9L866 R872 H873 Y874 R902 F940L866-V870 HydrophobicContact CD1-CG2 4.17Å; L866-V870 HydrophobicContact CG-CG2 4.45Å; L866-V870 WeakPolarHBondContact O-CG2 3.46Å; L866-V870 PolarHBondContact O-N 2.87Å; V870-R872 PolarHBondContact O-N 3.29Å; V870-H873 PolarHBondContact O-N 3.41Å; V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.36Å; V870-Y874 WeakPolarHBondContact O-CD2 3.21Å; V870-Y874 PolarHBondContact O-N 2.93Å; V870-Y874 VanDerWaalsContact O-N 3.09Å; V870-R902 HydrophobicContact CG1-CG 4.42Å; V870-R902 HydrophobicContact CG2-CG 4.09Å; V870-F940 HydrophobicContact CG2-CB 4.43Å; V870-F940 HydrophobicContact CG2-CD1 3.86Å; V870-F940 HydrophobicContact CG2-CD2 3.97Å; V870-F940 HydrophobicContact CG2-CE1 4.07Å; V870-F940 HydrophobicContact CG2-CE2 4.18Å; V870-F940 HydrophobicContact CG2-CG 3.83Å; V870-F940 HydrophobicContact CG2-CZ 4.23Å
871Q94.6Very high92.4Very high9 Ų957.6 Ų57.64%0.04228%0.28CS..Hα-helixtrans-56.4-53.5177.8-176.367.535.100111.4M863 G867 E868 H873 Y874 E875 R899M863-Q871 HydrophobicContact CE-CB 4.44Å; M863-Q871 HydrophobicContact SD-CB 4.47Å; G867-Q871 WeakPolarHBondContact O-CB 3.37Å; G867-Q871 PolarHBondContact O-N 3.46Å; E868-Q871 PolarHBondContact O-N 3.36Å; Q871-H873 VanDerWaalsContact C-N 3.28Å; Q871-H873 PolarHBondContact O-N 3.21Å; Q871-Y874 PolarHBondContact O-N 2.77Å; Q871-E875 PolarHBondContact NE2-OE2 2.89Å; Q871-E875 WeakPolarHBondContact O-CB 3.4Å; Q871-E875 PolarHBondContact O-N 2.78Å; Q871-R899 VanDerWaalsContact OE1-CA 3.25Å
872R93.7Very high93Very high169 Ų16961.4 Ų61.464%0.63830%0.3SS*.Hα-helixtrans-60.7-37-178.7-72.4178.7-177.4-172.3-0.2112.5E868 V870E868-R872 HydrophobicContact CG-CG 4.41Å; E868-R872 WeakPolarHBondContact O-CB 3.19Å; E868-R872 WeakPolarHBondContact O-CG 3.27Å; E868-R872 PolarHBondContact O-N 2.61Å; E868-R872 IonicContact OE1-CZ 3.73Å; E868-R872 IonicContact OE1-NE 3.59Å; E868-R872 PolarHBondContact OE1-NE 3.09Å; E868-R872 IonicContact OE1-NH2 2.89Å; E868-R872 PolarHBondContact OE1-NH2 2.61Å; V870-R872 PolarHBondContact O-N 3.29Å
873H95.4Very high93.2Very high45 Ų4561.1 Ų61.121%0.20830%0.297CS..Hα-helixtrans-67.9-51.2-179.3-175.886.8000112R869 V870 Q871 E875 L876 N879 F940R869-H873 VanDerWaalsContact O-CB 3.27Å; R869-H873 WeakPolarHBondContact O-CB 2.9Å; R869-H873 PolarHBondContact O-N 2.92Å; V870-H873 PolarHBondContact O-N 3.41Å; Q871-H873 VanDerWaalsContact C-N 3.28Å; Q871-H873 PolarHBondContact O-N 3.21Å; H873-E875 VanDerWaalsContact C-N 3.35Å; H873-L876 PolarHBondContact O-N 3.24Å; H873-N879 WeakPolarHBondContact O-CB 3.18Å; H873-N879 PolarHBondContact O-ND2 2.88Å; H873-F940 HydrophobicContact CB-CE2 3.81Å; H873-F940 HydrophobicContact CB-CZ 3.8Å; H873-F940 AromaticContact CD2-CE2 3.88Å; H873-F940 AromaticContact CG-CE2 3.78Å
874Y95.6Very high93.1Very high0 Ų065.9 Ų65.90%033%0.329CS..Hα-helixtrans-83.3-9.4-176-71.9-85000113.8V870 Q871 L876 R880 V893 Y900 S935 C936 V937 F940V870-Y874 HydrophobicContact CG1-CD2 4.03Å; V870-Y874 HydrophobicContact CG1-CE2 4.36Å; V870-Y874 WeakPolarHBondContact O-CD2 3.21Å; V870-Y874 PolarHBondContact O-N 2.93Å; V870-Y874 VanDerWaalsContact O-N 3.09Å; Q871-Y874 PolarHBondContact O-N 2.77Å; Y874-L876 PolarHBondContact O-N 3.37Å; Y874-R880 WeakPolarHBondContact O-CG 3.4Å; Y874-R880 PolarHBondContact O-NE 3.33Å; Y874-V893 HydrophobicContact CD1-CG1 4.31Å; Y874-V893 HydrophobicContact CD2-CG1 4Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.3Å; Y874-V893 HydrophobicContact CE1-CG1 4.39Å; Y874-V893 HydrophobicContact CE1-CG2 4.46Å; Y874-V893 HydrophobicContact CE2-CB 4.24Å; Y874-V893 HydrophobicContact CE2-CG1 4.1Å; Y874-V893 HydrophobicContact CE2-CG2 3.72Å; Y874-V893 HydrophobicContact CG-CG1 4.12Å; Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 HydrophobicContact CG-CD1 4.27Å; Y874-Y900 HydrophobicContact CG-CG 4.39Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.27Å; Y874-Y900 VanDerWaalsContact O-CZ 3.32Å; Y874-S935 PolarHBondContact OH-O 2.9Å; Y874-C936 WeakPolarHBondContact OH-CA 3.38Å; Y874-V937 PolarHBondContact OH-N 3.02Å; Y874-F940 HydrophobicContact CD2-CE2 4.43Å; Y874-F940 AromaticContact CE2-CD2 3.91Å; Y874-F940 HydrophobicContact CE2-CD2 3.91Å; Y874-F940 AromaticContact CE2-CE2 3.82Å; Y874-F940 HydrophobicContact CE2-CE2 3.82Å
875E94.1Very high92.8Very high91 Ų9171.3 Ų71.343%0.42536%0.358SS..Hα-helixtrans-62.1-27.8167.1-156.363.1-136.800111.4Q871 H873 E877 R880Q871-E875 PolarHBondContact NE2-OE2 2.89Å; Q871-E875 WeakPolarHBondContact O-CB 3.4Å; Q871-E875 PolarHBondContact O-N 2.78Å; H873-E875 VanDerWaalsContact C-N 3.35Å; E875-E877 PolarHBondContact O-N 3.4Å; E875-R880 PolarHBondContact O-NH2 3.05Å
876L95.1Very high92.6Very high107 Ų10767.2 Ų67.256%0.5634%0.337SS*.SBendtrans-78.3120.4173.3-59.5173.5000110.4H873 Y874 A878 N879H873-L876 PolarHBondContact O-N 3.24Å; Y874-L876 PolarHBondContact O-N 3.37Å; L876-A878 PolarHBondContact O-N 3.45Å; L876-N879 PolarHBondContact O-N 2.91Å
877E92.1Very high92.4Very high152 Ų15270 Ų7071%0.7135%0.354SS*.G310 helixtrans-57.6-35.9-178.8-75.1-17717200113.5E875 N879 R880E875-E877 PolarHBondContact O-N 3.4Å; E877-N879 PolarHBondContact O-N 3.33Å; E877-R880 VanDerWaalsContact CG-NH1 3.34Å; E877-R880 WeakPolarHBondContact O-CB 3.46Å; E877-R880 PolarHBondContact O-N 3.27Å; E877-R880 IonicContact OE1-NH1 2.72Å
878A93.8Very high92.2Very high81 Ų8172.1 Ų72.167%0.66937%0.365SS*.G310 helixtrans-59.3-19.8176.700000113.8L876 H881L876-A878 PolarHBondContact O-N 3.45Å; A878-H881 PolarHBondContact O-CE1 3.31Å; A878-H881 PolarHBondContact O-NE2 3.16Å
879N93.2Very high91.8Very high39 Ų3972.9 Ų72.921%0.20938%0.382CS..G310 helixtrans-95.6-7.6179.3-65.2-25.5000113.1H873 L876 E877 H881H873-N879 WeakPolarHBondContact O-CB 3.18Å; H873-N879 PolarHBondContact O-ND2 2.88Å; L876-N879 PolarHBondContact O-N 2.91Å; E877-N879 PolarHBondContact O-N 3.33Å; N879-H881 VanDerWaalsContact C-N 3.27Å; N879-H881 PolarHBondContact O-N 2.92Å; N879-H881 PolarHBondContact O-ND1 2.8Å
880R93.4Very high91.6Very high59 Ų5970.2 Ų70.222%0.22337%0.374CS..  trans-84.464.4-175.1-59.7178.6-166.7165.74.3111.6Y874 E875 E877 M882 Y900 Y934Y874-R880 WeakPolarHBondContact O-CG 3.4Å; Y874-R880 PolarHBondContact O-NE 3.33Å; E875-R880 PolarHBondContact O-NH2 3.05Å; E877-R880 VanDerWaalsContact CG-NH1 3.34Å; E877-R880 WeakPolarHBondContact O-CB 3.46Å; E877-R880 PolarHBondContact O-N 3.27Å; E877-R880 IonicContact OE1-NH1 2.72Å; R880-M882 PolarHBondContact O-N 3.31Å; R880-Y900 PolarHBondContact NE-OH 2.89Å; R880-Y900 PolarHBondContact NH2-OH 2.89Å; R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 HydrophobicContact CG-CE1 4.5Å
881H93.2Very high91.6Very high115 Ų11572.2 Ų72.253%0.53238%0.384SS..PPolyproline II helixtrans-77.9118.7176.1-56.992.6000110A878 N879 Y934 S935A878-H881 PolarHBondContact O-CE1 3.31Å; A878-H881 PolarHBondContact O-NE2 3.16Å; N879-H881 VanDerWaalsContact C-N 3.27Å; N879-H881 PolarHBondContact O-N 2.92Å; N879-H881 PolarHBondContact O-ND1 2.8Å; H881-Y934 CarbonylContact O-C 3.6Å; H881-Y934 VanDerWaalsContact O-CA 3.25Å; H881-Y934 WeakPolarHBondContact O-CA 3.48Å; H881-S935 PolarHBondContact O-N 3.19Å
882M92.1Very high91.6Very high112 Ų11271.8 Ų71.855%0.55238%0.382SS*.BIsolated β-bridgetrans-58.5141.4174.8-79.2-18048.100111.3R880 P884R880-M882 PolarHBondContact O-N 3.31Å; M882-P884 WeakPolarHBondContact O-CD 3.21Å
883H90.2Very high91.7Very high8 Ų863.7 Ų63.74%0.03735%0.352CS..PPolyproline II helixtrans-69.7119.1178.9-161-65.7000110.1N885 P886 E890 L933H883-N885 PolarHBondContact CE1-O 3.41Å; H883-P886 HydrophobicContact CB-CG 4.41Å; H883-P886 WeakPolarHBondContact ND1-CA 3.25Å; H883-E890 IonicContact CE1-OE1 3.56Å; H883-E890 IonicContact CE1-OE2 3.48Å; H883-E890 PolarHBondContact CE1-OE2 3.24Å; H883-E890 VanDerWaalsContact NE2-CD 3.27Å; H883-E890 IonicContact NE2-OE1 3.86Å; H883-E890 PolarHBondContact NE2-OE1 2.93Å; H883-E890 IonicContact NE2-OE2 3.15Å; H883-E890 PolarHBondContact NE2-OE2 3.22Å; H883-L933 HydrophobicContact CB-CB 4.1Å; H883-L933 HydrophobicContact CB-CD2 3.91Å; H883-L933 HydrophobicContact CB-CG 4.02Å; H883-L933 WeakPolarHBondContact CB-O 3.31Å; H883-L933 PolarHBondContact N-O 2.76Å
884P84.4Confident91.7Very high115 Ų11561.6 Ų61.675%0.74734%0.342SS*.SBendtrans-73.3-37.1-167.827-34.3000113M882M882-P884 WeakPolarHBondContact O-CD 3.21Å
885N87.6Confident91.6Very high117 Ų11765.5 Ų65.563%0.62636%0.359SS*.SBendtrans-151.389.5178.2-174.626000109.9H883 V887H883-N885 PolarHBondContact CE1-O 3.41Å; N885-V887 PolarHBondContact O-N 3.19Å
886P88.6Confident91.4Very high11 Ų1162.2 Ų62.27%0.07134%0.344CS..  trans-61.6129.4-179.2-18.129.5000111.3H883 I905 V908 V914 T930 L933H883-P886 HydrophobicContact CB-CG 4.41Å; H883-P886 WeakPolarHBondContact ND1-CA 3.25Å; P886-I905 HydrophobicContact CB-CD1 3.75Å; P886-V908 HydrophobicContact CB-CG2 4.41Å; P886-V908 VanDerWaalsContact O-CG2 3.25Å; P886-V908 WeakPolarHBondContact O-CG2 3.36Å; P886-V914 HydrophobicContact CB-CG1 3.89Å; P886-V914 HydrophobicContact CG-CG1 4.08Å; P886-T930 HydrophobicContact CG-CG2 3.53Å; P886-L933 HydrophobicContact CB-CD2 3.77Å; P886-L933 HydrophobicContact CG-CD2 3.79Å
887V89.1Confident90.8Very high69 Ų6963.5 Ų63.542%0.41835%0.35SS..  trans-122.2139.1177-177.70000110.1N885 G889 E890 I905N885-V887 PolarHBondContact O-N 3.19Å; V887-G889 PolarHBondContact O-N 3.45Å; V887-E890 WeakPolarHBondContact O-CB 3.48Å; V887-E890 PolarHBondContact O-N 3.38Å; V887-E890 VanDerWaalsContact O-N 3.12Å; V887-I905 WeakPolarHBondContact O-CB 3.39Å; V887-I905 WeakPolarHBondContact O-CD1 3.18Å
888P87.3Confident90.6Very high58 Ų5861.3 Ų61.338%0.37734%0.343SS..THydrogen-bonded Turntrans-54.7132.6173.5-25.135.8000111.8V908P888-V908 HydrophobicContact CG-CG2 4.23Å
889G85.2Confident90.4Very high47 Ų4759.1 Ų59.149%0.48532%0.318SS..THydrogen-bonded Turntrans100.6-21.9-174.900000114.3V887 H904 I905V887-G889 PolarHBondContact O-N 3.45Å; G889-H904 VanDerWaalsContact CA-CE1 3.45Å; G889-H904 WeakPolarHBondContact CA-CE1 3.34Å; G889-H904 WeakPolarHBondContact CA-NE2 3.24Å; G889-H904 PolarHBondContact O-CD2 3.26Å; G889-H904 PolarHBondContact O-NE2 2.88Å; G889-I905 PolarHBondContact N-O 2.71Å
890E90.6Very high90.5Very high68 Ų6857.6 Ų57.632%0.31831%0.309SS..  trans-82.1150.7-177.9-179171.8-158.100112.3H883 V887 I905H883-E890 IonicContact CE1-OE1 3.56Å; H883-E890 IonicContact CE1-OE2 3.48Å; H883-E890 PolarHBondContact CE1-OE2 3.24Å; H883-E890 VanDerWaalsContact NE2-CD 3.27Å; H883-E890 IonicContact NE2-OE1 3.86Å; H883-E890 PolarHBondContact NE2-OE1 2.93Å; H883-E890 IonicContact NE2-OE2 3.15Å; H883-E890 PolarHBondContact NE2-OE2 3.22Å; V887-E890 WeakPolarHBondContact O-CB 3.48Å; V887-E890 PolarHBondContact O-N 3.38Å; V887-E890 VanDerWaalsContact O-N 3.12Å; E890-I905 HydrophobicContact CB-CD1 4.11Å; E890-I905 PolarHBondContact O-N 3.23Å
891M94.1Very high90.5Very high44 Ų4455.1 Ų55.122%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-94.5131.6178.3-141.2-175.2-61.900110.4V903 L919 C936 K941M891-V903 CarbonylContact C-O 3.54Å; M891-V903 WeakPolarHBondContact CA-O 3.4Å; M891-V903 WeakPolarHBondContact CG-O 3.33Å; M891-L919 HydrophobicContact CG-CD1 3.63Å; M891-L919 HydrophobicContact SD-CD1 3.73Å; M891-C936 WeakPolarHBondContact O-CB 3.04Å; M891-K941 HydrophobicContact CB-CG 4.46Å; M891-K941 WeakPolarHBondContact CE-O 3.47Å
892A95.3Very high90.6Very high0 Ų049.6 Ų49.60%028%0.275CS..EExtended strand (participates in β ladder)trans-137-179.3-177.800000110.7R902 V903 I905 L933 Y934A892-R902 WeakPolarHBondContact O-CA 3.21Å; A892-V903 HydrophobicContact CB-CG2 3.96Å; A892-V903 PolarHBondContact N-O 2.93Å; A892-V903 PolarHBondContact O-N 2.95Å; A892-I905 HydrophobicContact CB-CD1 4.33Å; A892-I905 HydrophobicContact CB-CG1 4.41Å; A892-L933 HydrophobicContact CB-CD1 3.55Å; A892-L933 HydrophobicContact CB-CD2 3.8Å; A892-L933 HydrophobicContact CB-CG 3.61Å; A892-Y934 WeakPolarHBondContact CB-O 3.45Å
893V96.4Very high90.8Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-127.9138.2176.6176.20000110.1Y874 Y900 E901 R902 Y934 C936Y874-V893 HydrophobicContact CD1-CG1 4.31Å; Y874-V893 HydrophobicContact CD2-CG1 4Å; Y874-V893 HydrophobicContact CD2-CG2 4.42Å; Y874-V893 HydrophobicContact CE1-CB 4.3Å; Y874-V893 HydrophobicContact CE1-CG1 4.39Å; Y874-V893 HydrophobicContact CE1-CG2 4.46Å; Y874-V893 HydrophobicContact CE2-CB 4.24Å; Y874-V893 HydrophobicContact CE2-CG1 4.1Å; Y874-V893 HydrophobicContact CE2-CG2 3.72Å; Y874-V893 HydrophobicContact CG-CG1 4.12Å; V893-Y900 HydrophobicContact CG1-CD1 4.23Å; V893-E901 WeakPolarHBondContact CA-O 3.29Å; V893-R902 HydrophobicContact CG2-CG 4.42Å; V893-Y934 PolarHBondContact N-O 2.83Å; V893-Y934 PolarHBondContact O-N 3.49Å; V893-C936 HydrophobicContact CG2-CB 4.21Å
894V95.3Very high90.9Very high0 Ų045.7 Ų45.70%026%0.255CS..EExtended strand (participates in β ladder)trans-124.3155.9173.8-60.50000110.8N896 Y900 E901 V903 V916 L918 Y928 L933V894-N896 HydrophobicContact CG2-CB 4.44Å; V894-Y900 WeakPolarHBondContact O-CA 3.43Å; V894-E901 PolarHBondContact N-O 2.76Å; V894-E901 PolarHBondContact O-N 2.69Å; V894-V903 HydrophobicContact CB-CG1 4.44Å; V894-V903 HydrophobicContact CG1-CG1 4.23Å; V894-V903 HydrophobicContact CG1-CG2 4.03Å; V894-V903 HydrophobicContact CG2-CG1 3.55Å; V894-V916 HydrophobicContact CG1-CG2 4.39Å; V894-L918 HydrophobicContact CG2-CD2 4.43Å; V894-Y928 HydrophobicContact CB-CE1 4.31Å; V894-Y928 HydrophobicContact CB-CE2 4.33Å; V894-Y928 HydrophobicContact CG1-CD1 4.49Å; V894-Y928 HydrophobicContact CG1-CD2 4.11Å; V894-Y928 HydrophobicContact CG1-CE2 4.29Å; V894-Y928 HydrophobicContact CG1-CG 4.2Å; V894-Y928 HydrophobicContact CG2-CE1 4.42Å; V894-Y928 HydrophobicContact CG2-CE2 3.94Å; V894-L933 HydrophobicContact CG1-CD1 3.43Å; V894-L933 VanDerWaalsContact CG1-CD1 3.43Å
895K93.7Very high91.3Very high82 Ų8240.2 Ų40.236%0.35722%0.219SC..EExtended strand (participates in β ladder)trans-91111.9166.6-166.3175.8-171.3163.30109.7R899 Y900K895-R899 CarbonylContact C-O 3.51Å; K895-R899 VanDerWaalsContact CA-O 3.3Å; K895-R899 WeakPolarHBondContact CA-O 3.48Å; K895-Y900 HydrophobicContact CB-CD1 4.18Å; K895-Y900 HydrophobicContact CB-CE1 3.88Å; K895-Y900 HydrophobicContact CD-CE1 4.15Å; K895-Y900 HydrophobicContact CG-CD1 4.46Å; K895-Y900 HydrophobicContact CG-CE1 4.07Å; K895-Y900 PolarHBondContact NZ-OH 2.78Å
896N88.5Confident91.3Very high22 Ų2237 Ų3712%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-121.7117.7-179.6-173.321.3000110.6V894 N898 R899 E901 Y928V894-N896 HydrophobicContact CG2-CB 4.44Å; N896-N898 VanDerWaalsContact C-N 3.31Å; N896-N898 PolarHBondContact O-N 2.88Å; N896-R899 PolarHBondContact N-O 2.89Å; N896-R899 WeakPolarHBondContact O-CB 3.49Å; N896-R899 PolarHBondContact O-N 3.29Å; N896-E901 VanDerWaalsContact CB-OE2 3.24Å; N896-E901 WeakPolarHBondContact CB-OE2 3.47Å; N896-E901 PolarHBondContact ND2-OE2 2.85Å; N896-Y928 WeakPolarHBondContact CB-OH 3Å; N896-Y928 VanDerWaalsContact CG-OH 3.29Å; N896-Y928 PolarHBondContact OD1-OH 2.77Å
897I83.9Confident91.2Very high135 Ų13538.3 Ų38.369%0.69221%0.213SC*.THydrogen-bonded Turntrans44.555.5-179.4-47.8171.7000111.3R899I897-R899 PolarHBondContact O-N 3.09Å
898N86.4Confident91Very high105 Ų10538.3 Ų38.356%0.56121%0.213SC*.THydrogen-bonded Turntrans6315.3-178.4-59.3-33000116.5L859 N896L859-N898 HydrophobicContact CD1-CB 3.98Å; N896-N898 VanDerWaalsContact C-N 3.31Å; N896-N898 PolarHBondContact O-N 2.88Å
899R90.4Very high90.5Very high35 Ų3539.9 Ų39.913%0.13222%0.215CC..EExtended strand (participates in β ladder)trans-117.7146.3173.6-57.9-171.3-55.1-1293.5111.8F858 Q871 K895 N896 I897 E901F858-R899 HydrophobicContact CD1-CG 3.87Å; F858-R899 HydrophobicContact CE1-CG 3.89Å; Q871-R899 VanDerWaalsContact OE1-CA 3.25Å; K895-R899 CarbonylContact C-O 3.51Å; K895-R899 VanDerWaalsContact CA-O 3.3Å; K895-R899 WeakPolarHBondContact CA-O 3.48Å; N896-R899 PolarHBondContact N-O 2.89Å; N896-R899 WeakPolarHBondContact O-CB 3.49Å; N896-R899 PolarHBondContact O-N 3.29Å; I897-R899 PolarHBondContact O-N 3.09Å; R899-E901 HydrophobicContact CB-CG 4.23Å; R899-E901 IonicContact CZ-OE1 2.73Å; R899-E901 IonicContact NE-OE1 3.73Å; R899-E901 PolarHBondContact NE-OE1 2.81Å; R899-E901 IonicContact NH2-OE1 3.65Å; R899-E901 PolarHBondContact NH2-OE1 2.83Å
900Y94.2Very high89.6Confident8 Ų842.5 Ų42.53%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-91.5121.5169.8-67.4-80.6000109.5Y874 R880 V893 V894 K895 Y934Y874-Y900 VanDerWaalsContact CB-CD1 3.48Å; Y874-Y900 HydrophobicContact CG-CD1 4.27Å; Y874-Y900 HydrophobicContact CG-CG 4.39Å; Y874-Y900 WeakPolarHBondContact O-CE2 3.27Å; Y874-Y900 VanDerWaalsContact O-CZ 3.32Å; R880-Y900 PolarHBondContact NE-OH 2.89Å; R880-Y900 PolarHBondContact NH2-OH 2.89Å; V893-Y900 HydrophobicContact CG1-CD1 4.23Å; V894-Y900 WeakPolarHBondContact O-CA 3.43Å; K895-Y900 HydrophobicContact CB-CD1 4.18Å; K895-Y900 HydrophobicContact CB-CE1 3.88Å; K895-Y900 HydrophobicContact CD-CE1 4.15Å; K895-Y900 HydrophobicContact CG-CD1 4.46Å; K895-Y900 HydrophobicContact CG-CE1 4.07Å; K895-Y900 PolarHBondContact NZ-OH 2.78Å; Y900-Y934 HydrophobicContact CD1-CD2 4.4Å; Y900-Y934 HydrophobicContact CD1-CE2 4.27Å; Y900-Y934 HydrophobicContact CE1-CD2 4.27Å; Y900-Y934 AromaticContact CE1-CE2 3.76Å; Y900-Y934 HydrophobicContact CE1-CE2 3.76Å
901E93.8Very high88.1Confident6 Ų643.3 Ų43.33%0.02823%0.233CC..EExtended strand (participates in β ladder)trans-126.4136.1-172.9-62.5-176.3146.900110.1V893 V894 N896 R899 L918 T921V893-E901 WeakPolarHBondContact CA-O 3.29Å; V894-E901 PolarHBondContact N-O 2.76Å; V894-E901 PolarHBondContact O-N 2.69Å; N896-E901 VanDerWaalsContact CB-OE2 3.24Å; N896-E901 WeakPolarHBondContact CB-OE2 3.47Å; N896-E901 PolarHBondContact ND2-OE2 2.85Å; R899-E901 HydrophobicContact CB-CG 4.23Å; R899-E901 IonicContact CZ-OE1 2.73Å; R899-E901 IonicContact NE-OE1 3.73Å; R899-E901 PolarHBondContact NE-OE1 2.81Å; R899-E901 IonicContact NH2-OE1 3.65Å; R899-E901 PolarHBondContact NH2-OE1 2.83Å; E901-L918 HydrophobicContact CB-CD2 4.31Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.33Å; E901-T921 HydrophobicContact CG-CG2 4.29Å; E901-T921 VanDerWaalsContact OE1-CB 3.26Å; E901-T921 WeakPolarHBondContact OE1-CB 3.44Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.36Å; E901-T921 PolarHBondContact OE1-OG1 3.46Å; E901-T921 PolarHBondContact OE2-OG1 2.9Å
902R95.9Very high87.3Confident0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-72138.1171.6-58-175.1-56.5154.34.3109.4L866 V870 A892 V893 L919 D920 F940 S943 P944L866-R902 VanDerWaalsContact CD2-CZ 3.4Å; V870-R902 HydrophobicContact CG1-CG 4.42Å; V870-R902 HydrophobicContact CG2-CG 4.09Å; A892-R902 WeakPolarHBondContact O-CA 3.21Å; V893-R902 HydrophobicContact CG2-CG 4.42Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.22Å; R902-L919 PolarHBondContact O-N 3.24Å; R902-L919 VanDerWaalsContact O-N 3.09Å; R902-D920 IonicContact CZ-OD1 3.1Å; R902-D920 IonicContact CZ-OD2 2.7Å; R902-D920 IonicContact NE-OD1 2.84Å; R902-D920 IonicContact NE-OD2 3.73Å; R902-D920 PolarHBondContact NE-OD2 2.74Å; R902-D920 IonicContact NH2-OD1 2.78Å; R902-D920 PolarHBondContact NH2-OD1 3.18Å; R902-D920 IonicContact NH2-OD2 3.87Å; R902-D920 PolarHBondContact NH2-OD2 3.49Å; R902-F940 PolarHBondContact NH1-O 2.82Å; R902-S943 PolarHBondContact NH1-O 2.98Å; R902-P944 PolarHBondContact NH2-O 2.94Å
903V95.3Very high87Confident0 Ų047 Ų470%026%0.261CS..EExtended strand (participates in β ladder)trans-134.5154.7-178.3-52.50000110.9M891 A892 V894 V916 Q917 L918 L933M891-V903 CarbonylContact C-O 3.54Å; M891-V903 WeakPolarHBondContact CA-O 3.4Å; M891-V903 WeakPolarHBondContact CG-O 3.33Å; A892-V903 HydrophobicContact CB-CG2 3.96Å; A892-V903 PolarHBondContact N-O 2.93Å; A892-V903 PolarHBondContact O-N 2.95Å; V894-V903 HydrophobicContact CB-CG1 4.44Å; V894-V903 HydrophobicContact CG1-CG1 4.23Å; V894-V903 HydrophobicContact CG1-CG2 4.03Å; V894-V903 HydrophobicContact CG2-CG1 3.55Å; V903-V916 HydrophobicContact CB-CB 3.82Å; V903-V916 HydrophobicContact CB-CG2 3.86Å; V903-V916 HydrophobicContact CG1-CB 4.46Å; V903-V916 HydrophobicContact CG1-CG2 3.94Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.02Å; V903-V916 HydrophobicContact CG2-CG2 3.94Å; V903-Q917 CarbonylContact C-O 3.55Å; V903-Q917 WeakPolarHBondContact CA-O 3.4Å; V903-Q917 WeakPolarHBondContact CB-O 3.4Å; V903-L918 HydrophobicContact CG1-CD2 3.51Å; V903-L933 HydrophobicContact CG2-CD1 3.94Å
904H93Very high86.7Confident38 Ų3847 Ų4718%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-109127.7170-179.8-80.3000109.2G889 V906 V916 Q917 L919G889-H904 VanDerWaalsContact CA-CE1 3.45Å; G889-H904 WeakPolarHBondContact CA-CE1 3.34Å; G889-H904 WeakPolarHBondContact CA-NE2 3.24Å; G889-H904 PolarHBondContact O-CD2 3.26Å; G889-H904 PolarHBondContact O-NE2 2.88Å; H904-V906 PolarHBondContact O-N 3.1Å; H904-V916 CarbonylContact O-C 3.55Å; H904-V916 WeakPolarHBondContact O-CA 3.45Å; H904-Q917 PolarHBondContact N-O 3.18Å; H904-Q917 PolarHBondContact O-N 3.11Å; H904-L919 HydrophobicContact CB-CD1 4.32Å; H904-L919 HydrophobicContact CB-CD2 3.91Å; H904-L919 HydrophobicContact CB-CG 4.37Å
905I92.1Very high86.6Confident0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-71.3118.3179-58.7161.6000107.9P886 V887 G889 E890 A892 V908 V916 L933P886-I905 HydrophobicContact CB-CD1 3.75Å; V887-I905 WeakPolarHBondContact O-CB 3.39Å; V887-I905 WeakPolarHBondContact O-CD1 3.18Å; G889-I905 PolarHBondContact N-O 2.71Å; E890-I905 HydrophobicContact CB-CD1 4.11Å; E890-I905 PolarHBondContact O-N 3.23Å; A892-I905 HydrophobicContact CB-CD1 4.33Å; A892-I905 HydrophobicContact CB-CG1 4.41Å; I905-V908 HydrophobicContact CG2-CG2 4.2Å; I905-V916 HydrophobicContact CG1-CG1 4.4Å; I905-L933 HydrophobicContact CD1-CD2 3.89Å; I905-L933 HydrophobicContact CG1-CD2 4.15Å
906V88.6Confident86.5Confident48 Ų4845 Ų4529%0.29126%0.255SS..EExtended strand (participates in β ladder)trans-88.5-47.1-179179.10000110.2H904 L915 Q917H904-V906 PolarHBondContact O-N 3.1Å; V906-L915 HydrophobicContact CB-CD2 4.25Å; V906-L915 HydrophobicContact CB-CG 4.28Å; V906-L915 WeakPolarHBondContact CB-O 3.44Å; V906-L915 HydrophobicContact CG1-CD2 4.12Å; V906-L915 PolarHBondContact N-O 3.3Å; V906-Q917 HydrophobicContact CG2-CB 3.69Å
907S85.9Confident86.8Confident39 Ų3945.5 Ų45.527%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-155.2152.3176.654.10000110.6L915S907-L915 PolarHBondContact N-O 2.84Å; S907-L915 PolarHBondContact O-N 2.6Å; S907-L915 WeakPolarHBondContact OG-CB 3.43Å
908V84.4Confident87.2Confident69 Ų6939.3 Ų39.342%0.41823%0.225SC..EExtended strand (participates in β ladder)trans-102.5115.5169.9-1770000106.2P886 P888 I905 V914P886-V908 HydrophobicContact CB-CG2 4.41Å; P886-V908 VanDerWaalsContact O-CG2 3.25Å; P886-V908 WeakPolarHBondContact O-CG2 3.36Å; P888-V908 HydrophobicContact CG-CG2 4.23Å; I905-V908 HydrophobicContact CG2-CG2 4.2Å; V908-V914 HydrophobicContact CG1-CG1 4.25Å; V908-V914 HydrophobicContact CG2-CG1 4.27Å
909E78.6Confident87.6Confident91 Ų9134.6 Ų34.643%0.42520%0.199SC..EExtended strand (participates in β ladder)trans-84.8150.7176.6-63.8178.6-178.700108.5N911 M913E909-N911 PolarHBondContact O-N 3.21Å; E909-M913 HydrophobicContact CB-CB 4.38Å; E909-M913 PolarHBondContact N-O 3.29Å
910S65.1Low87.7Confident102 Ų10233.3 Ų33.371%0.71320%0.195SC*.THydrogen-bonded Turntrans-64.3136.2178.428.90000111.2
911N58.5Low87.4Confident86 Ų8633.8 Ų33.846%0.4620%0.199SC..THydrogen-bonded Turntrans71.574.2-178.1-54.9-30.3000116.8E125 E909 M913E125-N911 VanDerWaalsContact OE1-CG 3.25Å; E125-N911 PolarHBondContact OE1-ND2 3.01Å; E125-N911 PolarHBondContact OE2-ND2 3.23Å; E909-N911 PolarHBondContact O-N 3.21Å; N911-M913 PolarHBondContact O-N 3.48Å; N911-M913 VanDerWaalsContact O-N 3.14Å
912A78.3Confident87.3Confident66 Ų6633.7 Ų33.755%0.54520%0.199SC..THydrogen-bonded Turntrans65.912.8163.100000116.5K929 T930A912-K929 CarbonylContact O-C 3.56Å; A912-K929 WeakPolarHBondContact O-CA 3.46Å; A912-T930 PolarHBondContact O-N 2.93Å; A912-T930 PolarHBondContact O-OG1 3.29Å
913M88.9Confident87Confident54 Ų5435 Ų3527%0.26621%0.206SC..EExtended strand (participates in β ladder)trans-110.2138.2173.9-64-60.3-64.100111.3E909 N911 S927 Y928 K929E909-M913 HydrophobicContact CB-CB 4.38Å; E909-M913 PolarHBondContact N-O 3.29Å; N911-M913 PolarHBondContact O-N 3.48Å; N911-M913 VanDerWaalsContact O-N 3.14Å; M913-S927 WeakPolarHBondContact CE-OG 3.08Å; M913-Y928 CarbonylContact C-O 3.46Å; M913-Y928 WeakPolarHBondContact CA-O 3.18Å; M913-Y928 VanDerWaalsContact CE-C 3.46Å; M913-Y928 WeakPolarHBondContact CE-O 3.46Å; M913-K929 HydrophobicContact SD-CB 4.3Å; M913-K929 HydrophobicContact SD-CG 3.57Å; M913-K929 VanDerWaalsContact SD-CG 3.57Å
914V90.4Very high86.8Confident0 Ų038.9 Ų38.90%023%0.225CC..EExtended strand (participates in β ladder)trans-125.5127.9178.2-70.10000109.1P886 V908 V916 S927 Y928 L933P886-V914 HydrophobicContact CB-CG1 3.89Å; P886-V914 HydrophobicContact CG-CG1 4.08Å; V908-V914 HydrophobicContact CG1-CG1 4.25Å; V908-V914 HydrophobicContact CG2-CG1 4.27Å; V914-V916 HydrophobicContact CB-CG1 4.28Å; V914-V916 HydrophobicContact CG2-CG1 4.03Å; V914-S927 WeakPolarHBondContact O-CA 3.43Å; V914-Y928 WeakPolarHBondContact CG2-O 3.36Å; V914-Y928 PolarHBondContact N-O 3.35Å; V914-Y928 PolarHBondContact O-N 3.42Å; V914-L933 HydrophobicContact CG2-CD2 4.3Å
915L91.8Very high86.6Confident41 Ų4140 Ų4022%0.21524%0.236CC..EExtended strand (participates in β ladder)trans-86.7119.4171.2-174.669.3000108V906 S907 C925V906-L915 HydrophobicContact CB-CD2 4.25Å; V906-L915 HydrophobicContact CB-CG 4.28Å; V906-L915 WeakPolarHBondContact CB-O 3.44Å; V906-L915 HydrophobicContact CG1-CD2 4.12Å; V906-L915 PolarHBondContact N-O 3.3Å; S907-L915 PolarHBondContact N-O 2.84Å; S907-L915 PolarHBondContact O-N 2.6Å; S907-L915 WeakPolarHBondContact OG-CB 3.43Å; L915-C925 HydrophobicContact CD1-CB 3.9Å; L915-C925 HydrophobicContact CG-CB 4.19Å
916V93.1Very high86.5Confident0 Ų043.2 Ų43.20%025%0.25CS..EExtended strand (participates in β ladder)trans-123.9143.8-177.4-50.10000110.5V894 V903 H904 I905 V914 C925 F926 Y928 L933V894-V916 HydrophobicContact CG1-CG2 4.39Å; V903-V916 HydrophobicContact CB-CB 3.82Å; V903-V916 HydrophobicContact CB-CG2 3.86Å; V903-V916 HydrophobicContact CG1-CB 4.46Å; V903-V916 HydrophobicContact CG1-CG2 3.94Å; V903-V916 HydrophobicContact CG2-CB 3.71Å; V903-V916 HydrophobicContact CG2-CG1 4.02Å; V903-V916 HydrophobicContact CG2-CG2 3.94Å; H904-V916 CarbonylContact O-C 3.55Å; H904-V916 WeakPolarHBondContact O-CA 3.45Å; I905-V916 HydrophobicContact CG1-CG1 4.4Å; V914-V916 HydrophobicContact CB-CG1 4.28Å; V914-V916 HydrophobicContact CG2-CG1 4.03Å; V916-C925 CarbonylContact O-C 3.25Å; V916-C925 WeakPolarHBondContact O-CA 3.41Å; V916-F926 PolarHBondContact N-O 3.43Å; V916-F926 PolarHBondContact O-N 3.02Å; V916-Y928 HydrophobicContact CG2-CD2 3.52Å; V916-Y928 HydrophobicContact CG2-CE2 3.78Å; V916-L933 HydrophobicContact CG1-CD1 4.09Å
917Q93.6Very high86.7Confident33 Ų3343.8 Ų43.815%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-101.1128.6174.7-178.9173.645.300109.6V903 H904 V906 T923 E924V903-Q917 CarbonylContact C-O 3.55Å; V903-Q917 WeakPolarHBondContact CA-O 3.4Å; V903-Q917 WeakPolarHBondContact CB-O 3.4Å; H904-Q917 PolarHBondContact N-O 3.18Å; H904-Q917 PolarHBondContact O-N 3.11Å; V906-Q917 HydrophobicContact CG2-CB 3.69Å; Q917-T923 PolarHBondContact NE2-O 3.49Å; Q917-E924 WeakPolarHBondContact CA-O 3.2Å
918L93.9Very high87Confident5 Ų543 Ų433%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-65.8146173.1-60.3-173.4000110.6V894 E901 V903 S922 E924 F926V894-L918 HydrophobicContact CG2-CD2 4.43Å; E901-L918 HydrophobicContact CB-CD2 4.31Å; E901-L918 WeakPolarHBondContact OE2-CD1 3.33Å; V903-L918 HydrophobicContact CG1-CD2 3.51Å; L918-S922 CarbonylContact C-O 3.39Å; L918-S922 WeakPolarHBondContact CB-O 3.26Å; L918-E924 PolarHBondContact N-O 3.18Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.46Å; L918-F926 VanDerWaalsContact CD1-CE2 3.46Å; L918-F926 HydrophobicContact CD1-CZ 4.43Å; L918-F926 HydrophobicContact CD2-CD2 4.38Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.82Å
919L93.9Very high87.3Confident5 Ų545.3 Ų45.33%0.02625%0.252CS..SBendtrans-109.3-27.8-176.3-64.2179.6000114.4M891 R902 H904 R945 E946 A947M891-L919 HydrophobicContact CG-CD1 3.63Å; M891-L919 HydrophobicContact SD-CD1 3.73Å; R902-L919 HydrophobicContact CB-CB 4.44Å; R902-L919 HydrophobicContact CB-CD1 4.22Å; R902-L919 PolarHBondContact O-N 3.24Å; R902-L919 VanDerWaalsContact O-N 3.09Å; H904-L919 HydrophobicContact CB-CD1 4.32Å; H904-L919 HydrophobicContact CB-CD2 3.91Å; H904-L919 HydrophobicContact CB-CG 4.37Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; L919-E946 PolarHBondContact O-N 3.27Å; L919-E946 VanDerWaalsContact O-N 3.16Å; L919-A947 WeakPolarHBondContact O-CB 3.36Å; L919-A947 PolarHBondContact O-N 3.24Å
920D92.2Very high87.8Confident9 Ų942.6 Ų42.65%0.04824%0.242CC..SBendtrans-119.9-26.9-166.2-58.7-40000114.3L836 R902 E946L836-D920 WeakPolarHBondContact CD1-O 3.25Å; R902-D920 IonicContact CZ-OD1 3.1Å; R902-D920 IonicContact CZ-OD2 2.7Å; R902-D920 IonicContact NE-OD1 2.84Å; R902-D920 IonicContact NE-OD2 3.73Å; R902-D920 PolarHBondContact NE-OD2 2.74Å; R902-D920 IonicContact NH2-OD1 2.78Å; R902-D920 PolarHBondContact NH2-OD1 3.18Å; R902-D920 IonicContact NH2-OD2 3.87Å; R902-D920 PolarHBondContact NH2-OD2 3.49Å; D920-E946 HydrophobicContact CB-CB 4.37Å; D920-E946 PolarHBondContact OD1-N 3.01Å
921T88.1Confident89Confident17 Ų1740.9 Ų40.910%0.10423%0.229CC..SBendtrans-115-15.3-173.2610000113.6L836 F861 E901L836-T921 WeakPolarHBondContact CB-O 3.36Å; F861-T921 HydrophobicContact CD1-CG2 4.42Å; F861-T921 HydrophobicContact CE1-CG2 3.44Å; F861-T921 VanDerWaalsContact CE1-CG2 3.44Å; F861-T921 HydrophobicContact CZ-CG2 3.7Å; E901-T921 HydrophobicContact CG-CG2 4.29Å; E901-T921 VanDerWaalsContact OE1-CB 3.26Å; E901-T921 WeakPolarHBondContact OE1-CB 3.44Å; E901-T921 WeakPolarHBondContact OE1-CG2 3.36Å; E901-T921 PolarHBondContact OE1-OG1 3.46Å; E901-T921 PolarHBondContact OE2-OG1 2.9Å
922S90.9Very high90.5Very high4 Ų441 Ų413%0.02823%0.227CC..  trans-164.8166.4179.9-174.50000107.8Y839 L918 E924Y839-S922 PolarHBondContact OH-OG 3.32Å; L918-S922 CarbonylContact C-O 3.39Å; L918-S922 WeakPolarHBondContact CB-O 3.26Å; S922-E924 WeakPolarHBondContact OG-CB 3.49Å; S922-E924 PolarHBondContact OG-N 2.91Å; S922-E924 PolarHBondContact OG-OE2 3.44Å
923T91Very high91.3Very high27 Ų2737.9 Ų37.917%0.16620%0.201CC..SBendtrans-106.37.8168.559.10000112.4Y839 A845 Q917 A947 D949Y839-T923 WeakPolarHBondContact CE2-OG1 3.29Å; Y839-T923 PolarHBondContact OH-N 2.9Å; Y839-T923 PolarHBondContact OH-OG1 2.76Å; Y839-T923 VanDerWaalsContact OH-OG1 3.04Å; A845-T923 HydrophobicContact CB-CG2 4.32Å; Q917-T923 PolarHBondContact NE2-O 3.49Å; T923-A947 HydrophobicContact CG2-CB 4.19Å; T923-D949 HydrophobicContact CG2-CB 4.4Å
924E89.7Confident91.6Very high83 Ų8337.1 Ų37.139%0.38820%0.196SC..  trans-72.4154.1179.5-82.2171.7147.600113Y839 Q917 L918 S922 F926Y839-E924 HydrophobicContact CD1-CG 4.12Å; Y839-E924 HydrophobicContact CE1-CG 3.37Å; Y839-E924 WeakPolarHBondContact CE1-OE1 3.48Å; Y839-E924 PolarHBondContact OH-N 2.91Å; Q917-E924 WeakPolarHBondContact CA-O 3.2Å; L918-E924 PolarHBondContact N-O 3.18Å; S922-E924 WeakPolarHBondContact OG-CB 3.49Å; S922-E924 PolarHBondContact OG-N 2.91Å; S922-E924 PolarHBondContact OG-OE2 3.44Å; E924-F926 HydrophobicContact CB-CD2 4.35Å; E924-F926 HydrophobicContact CB-CE2 3.53Å; E924-F926 HydrophobicContact CB-CZ 3.83Å
925C90.1Very high91.8Very high61 Ų6138.8 Ų38.841%0.41221%0.208SC..EExtended strand (participates in β ladder)trans-100.1138.3171.9-58.30000110.5L915 V916L915-C925 HydrophobicContact CD1-CB 3.9Å; L915-C925 HydrophobicContact CG-CB 4.19Å; V916-C925 CarbonylContact O-C 3.25Å; V916-C925 WeakPolarHBondContact O-CA 3.41Å
926F90.4Very high91.9Very high68 Ų6837.1 Ų37.130%0.29820%0.199SC..EExtended strand (participates in β ladder)trans-130.6147.6178-64.2-86000109.7V916 L918 E924 Y928V916-F926 PolarHBondContact N-O 3.43Å; V916-F926 PolarHBondContact O-N 3.02Å; L918-F926 HydrophobicContact CD1-CD2 3.91Å; L918-F926 HydrophobicContact CD1-CE2 3.46Å; L918-F926 VanDerWaalsContact CD1-CE2 3.46Å; L918-F926 HydrophobicContact CD1-CZ 4.43Å; L918-F926 HydrophobicContact CD2-CD2 4.38Å; L918-F926 HydrophobicContact CG-CD2 3.83Å; L918-F926 HydrophobicContact CG-CE2 3.82Å; E924-F926 HydrophobicContact CB-CD2 4.35Å; E924-F926 HydrophobicContact CB-CE2 3.53Å; E924-F926 HydrophobicContact CB-CZ 3.83Å; F926-Y928 HydrophobicContact CB-CD2 4.05Å; F926-Y928 HydrophobicContact CB-CE2 3.47Å; F926-Y928 VanDerWaalsContact CB-CE2 3.47Å; F926-Y928 HydrophobicContact CG-CE2 4.39Å
927S91.8Very high91.9Very high59 Ų5939.1 Ų39.141%0.41321%0.212SC..EExtended strand (participates in β ladder)trans-95.5125.9175.2-167.20000109.3M913 V914M913-S927 WeakPolarHBondContact CE-OG 3.08Å; V914-S927 WeakPolarHBondContact O-CA 3.43Å
928Y91.8Very high91.6Very high24 Ų2443.1 Ų43.19%0.09423%0.23CC..EExtended strand (participates in β ladder)trans-125.4156.6178.5-74.6-87.1000110.7V894 N896 M913 V914 V916 F926 Q932V894-Y928 HydrophobicContact CB-CE1 4.31Å; V894-Y928 HydrophobicContact CB-CE2 4.33Å; V894-Y928 HydrophobicContact CG1-CD1 4.49Å; V894-Y928 HydrophobicContact CG1-CD2 4.11Å; V894-Y928 HydrophobicContact CG1-CE2 4.29Å; V894-Y928 HydrophobicContact CG1-CG 4.2Å; V894-Y928 HydrophobicContact CG2-CE1 4.42Å; V894-Y928 HydrophobicContact CG2-CE2 3.94Å; N896-Y928 WeakPolarHBondContact CB-OH 3Å; N896-Y928 VanDerWaalsContact CG-OH 3.29Å; N896-Y928 PolarHBondContact OD1-OH 2.77Å; M913-Y928 CarbonylContact C-O 3.46Å; M913-Y928 WeakPolarHBondContact CA-O 3.18Å; M913-Y928 VanDerWaalsContact CE-C 3.46Å; M913-Y928 WeakPolarHBondContact CE-O 3.46Å; V914-Y928 WeakPolarHBondContact CG2-O 3.36Å; V914-Y928 PolarHBondContact N-O 3.35Å; V914-Y928 PolarHBondContact O-N 3.42Å; V916-Y928 HydrophobicContact CG2-CD2 3.52Å; V916-Y928 HydrophobicContact CG2-CE2 3.78Å; F926-Y928 HydrophobicContact CB-CD2 4.05Å; F926-Y928 HydrophobicContact CB-CE2 3.47Å; F926-Y928 VanDerWaalsContact CB-CE2 3.47Å; F926-Y928 HydrophobicContact CG-CE2 4.39Å; Y928-Q932 HydrophobicContact CD1-CB 4.35Å
929K91.8Very high91.4Very high116 Ų11647.7 Ų47.750%0.50425%0.254SS..EExtended strand (participates in β ladder)trans-70.1145.8167.2-66179.8179.2-176.90109.6A912 M913 S931 Q932A912-K929 CarbonylContact O-C 3.56Å; A912-K929 WeakPolarHBondContact O-CA 3.46Å; M913-K929 HydrophobicContact SD-CB 4.3Å; M913-K929 HydrophobicContact SD-CG 3.57Å; M913-K929 VanDerWaalsContact SD-CG 3.57Å; K929-S931 PolarHBondContact O-N 3.01Å; K929-S931 VanDerWaalsContact O-N 3.13Å; K929-Q932 HydrophobicContact CB-CG 4.1Å; K929-Q932 WeakPolarHBondContact O-CA 3.43Å; K929-Q932 WeakPolarHBondContact O-CB 3.4Å; K929-Q932 PolarHBondContact O-N 3.21Å
930T88.8Confident91.3Very high35 Ų3547.7 Ų47.722%0.21525%0.253CS..G310 helixtrans-54.9-32.6173.1-57.60000111.7P886 A912 Q932 L933P886-T930 HydrophobicContact CG-CG2 3.53Å; A912-T930 PolarHBondContact O-N 2.93Å; A912-T930 PolarHBondContact O-OG1 3.29Å; T930-Q932 PolarHBondContact O-N 3.37Å; T930-L933 WeakPolarHBondContact O-CB 3.31Å; T930-L933 PolarHBondContact O-N 3.49Å
931S89.4Confident91.1Very high65 Ų6550 Ų5046%0.45526%0.263SS..G310 helixtrans-68.2-15.2175.758.10000115K929K929-S931 PolarHBondContact O-N 3.01Å; K929-S931 VanDerWaalsContact O-N 3.13Å
932Q91.5Very high91.1Very high89 Ų8955.7 Ų55.742%0.41629%0.293SS..G310 helixtrans-96.80.2177.7-62.6171.5-37.300112.3Y928 K929 T930Y928-Q932 HydrophobicContact CD1-CB 4.35Å; K929-Q932 HydrophobicContact CB-CG 4.1Å; K929-Q932 WeakPolarHBondContact O-CA 3.43Å; K929-Q932 WeakPolarHBondContact O-CB 3.4Å; K929-Q932 PolarHBondContact O-N 3.21Å; T930-Q932 PolarHBondContact O-N 3.37Å
933L94Very high91Very high0 Ų056.8 Ų56.80%030%0.301CS..EExtended strand (participates in β ladder)trans-97.5126.2-179.8-160.170.7000109.9H883 P886 A892 V894 V903 I905 V914 V916 T930H883-L933 HydrophobicContact CB-CB 4.1Å; H883-L933 HydrophobicContact CB-CD2 3.91Å; H883-L933 HydrophobicContact CB-CG 4.02Å; H883-L933 WeakPolarHBondContact CB-O 3.31Å; H883-L933 PolarHBondContact N-O 2.76Å; P886-L933 HydrophobicContact CB-CD2 3.77Å; P886-L933 HydrophobicContact CG-CD2 3.79Å; A892-L933 HydrophobicContact CB-CD1 3.55Å; A892-L933 HydrophobicContact CB-CD2 3.8Å; A892-L933 HydrophobicContact CB-CG 3.61Å; V894-L933 HydrophobicContact CG1-CD1 3.43Å; V894-L933 VanDerWaalsContact CG1-CD1 3.43Å; V903-L933 HydrophobicContact CG2-CD1 3.94Å; I905-L933 HydrophobicContact CD1-CD2 3.89Å; I905-L933 HydrophobicContact CG1-CD2 4.15Å; V914-L933 HydrophobicContact CG2-CD2 4.3Å; V916-L933 HydrophobicContact CG1-CD1 4.09Å; T930-L933 WeakPolarHBondContact O-CB 3.31Å; T930-L933 PolarHBondContact O-N 3.49Å
934Y95.3Very high91.1Very high38 Ų3858.3 Ų58.315%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-104.8147175.6-53.4-64.6000110.9R880 H881 A892 V893 Y900 C936R880-Y934 HydrophobicContact CB-CD1 4Å; R880-Y934 HydrophobicContact CB-CE1 3.78Å; R880-Y934 HydrophobicContact CG-CE1 4.5Å; H881-Y934 CarbonylContact O-C 3.6Å; H881-Y934 VanDerWaalsContact O-CA 3.25Å; H881-Y934 WeakPolarHBondContact O-CA 3.48Å; A892-Y934 WeakPolarHBondContact CB-O 3.45Å; V893-Y934 PolarHBondContact N-O 2.83Å; V893-Y934 PolarHBondContact O-N 3.49Å; Y900-Y934 HydrophobicContact CD1-CD2 4.4Å; Y900-Y934 HydrophobicContact CD1-CE2 4.27Å; Y900-Y934 HydrophobicContact CE1-CD2 4.27Å; Y900-Y934 AromaticContact CE1-CE2 3.76Å; Y900-Y934 HydrophobicContact CE1-CE2 3.76Å; Y934-C936 PolarHBondContact O-N 3.44Å
935S94.1Very high91.2Very high36 Ų3656.3 Ų56.325%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-63.2127.2173-61.50000110.2Y874 H881Y874-S935 PolarHBondContact OH-O 2.9Å; H881-S935 PolarHBondContact O-N 3.19Å
936C94.4Very high91.4Very high6 Ų653.7 Ų53.74%0.04128%0.281CS..PPolyproline II helixtrans-74.2126.4172.4-166.60000109.1Y874 M891 V893 Y934 K941Y874-C936 WeakPolarHBondContact OH-CA 3.38Å; M891-C936 WeakPolarHBondContact O-CB 3.04Å; V893-C936 HydrophobicContact CG2-CB 4.21Å; Y934-C936 PolarHBondContact O-N 3.44Å; C936-K941 HydrophobicContact CB-CG 4.09Å; C936-K941 WeakPolarHBondContact O-CE 3.31Å
937V92.6Very high91.6Very high42 Ų4250.6 Ų50.626%0.25527%0.268SS..PPolyproline II helixtrans-75147.1175.4-68.40000111Y874 I939 F940 K941Y874-V937 PolarHBondContact OH-N 3.02Å; V937-I939 HydrophobicContact CB-CG1 4.24Å; V937-I939 HydrophobicContact CG2-CD1 3.99Å; V937-I939 HydrophobicContact CG2-CG1 3.49Å; V937-I939 VanDerWaalsContact CG2-CG1 3.49Å; V937-I939 PolarHBondContact O-N 2.99Å; V937-I939 VanDerWaalsContact O-N 3.1Å; V937-F940 HydrophobicContact CG2-CD2 3.21Å; V937-F940 HydrophobicContact CG2-CE2 3.44Å; V937-F940 VanDerWaalsContact CG2-CE2 3.44Å; V937-F940 HydrophobicContact CG2-CG 4.05Å; V937-F940 HydrophobicContact CG2-CZ 4.43Å; V937-F940 PolarHBondContact O-N 3.14Å; V937-K941 PolarHBondContact O-N 2.91Å
938E88.3Confident91.7Very high117 Ų11747.8 Ų47.855%0.54725%0.248SC..Hα-helixtrans-52.9-38.1-172.9-66.8-55137.100113.6F940 K941 D942E938-F940 PolarHBondContact O-N 3.04Å; E938-K941 PolarHBondContact O-N 3.39Å; E938-K941 WeakPolarHBondContact OE1-CD 3.34Å; E938-K941 IonicContact OE1-NZ 3.31Å; E938-K941 PolarHBondContact OE1-NZ 3.46Å; E938-D942 PolarHBondContact O-N 3.09Å
939I88.6Confident91.9Very high101 Ų10147.3 Ų47.352%0.51825%0.248SC..Hα-helixtrans-55.4-22.9177.260.5167.5000114.1V937V937-I939 HydrophobicContact CB-CG1 4.24Å; V937-I939 HydrophobicContact CG2-CD1 3.99Å; V937-I939 HydrophobicContact CG2-CG1 3.49Å; V937-I939 VanDerWaalsContact CG2-CG1 3.49Å; V937-I939 PolarHBondContact O-N 2.99Å; V937-I939 VanDerWaalsContact O-N 3.1Å
940F92.4Very high92.2Very high4 Ų441.8 Ų41.82%0.01822%0.224CC..Hα-helixtrans-104.5-15.5178.6-58.2-38.4000113.1L866 R869 V870 H873 Y874 R902 V937 E938L866-F940 HydrophobicContact CD1-CD1 3.92Å; R869-F940 HydrophobicContact CB-CE1 3.97Å; R869-F940 HydrophobicContact CB-CZ 4.41Å; V870-F940 HydrophobicContact CG2-CB 4.43Å; V870-F940 HydrophobicContact CG2-CD1 3.86Å; V870-F940 HydrophobicContact CG2-CD2 3.97Å; V870-F940 HydrophobicContact CG2-CE1 4.07Å; V870-F940 HydrophobicContact CG2-CE2 4.18Å; V870-F940 HydrophobicContact CG2-CG 3.83Å; V870-F940 HydrophobicContact CG2-CZ 4.23Å; H873-F940 HydrophobicContact CB-CE2 3.81Å; H873-F940 HydrophobicContact CB-CZ 3.8Å; H873-F940 AromaticContact CD2-CE2 3.88Å; H873-F940 AromaticContact CG-CE2 3.78Å; Y874-F940 HydrophobicContact CD2-CE2 4.43Å; Y874-F940 AromaticContact CE2-CD2 3.91Å; Y874-F940 HydrophobicContact CE2-CD2 3.91Å; Y874-F940 AromaticContact CE2-CE2 3.82Å; Y874-F940 HydrophobicContact CE2-CE2 3.82Å; R902-F940 PolarHBondContact NH1-O 2.82Å; V937-F940 HydrophobicContact CG2-CD2 3.21Å; V937-F940 HydrophobicContact CG2-CE2 3.44Å; V937-F940 VanDerWaalsContact CG2-CE2 3.44Å; V937-F940 HydrophobicContact CG2-CG 4.05Å; V937-F940 HydrophobicContact CG2-CZ 4.43Å; V937-F940 PolarHBondContact O-N 3.14Å; E938-F940 PolarHBondContact O-N 3.04Å
941K88.9Confident92.5Very high57 Ų5742.1 Ų42.125%0.24822%0.221CC..Hα-helixtrans-73.5-34.6176.9-71.7-176.9179.81670112.3M891 C936 V937 E938 S943M891-K941 HydrophobicContact CB-CG 4.46Å; M891-K941 WeakPolarHBondContact CE-O 3.47Å; C936-K941 HydrophobicContact CB-CG 4.09Å; C936-K941 WeakPolarHBondContact O-CE 3.31Å; V937-K941 PolarHBondContact O-N 2.91Å; E938-K941 PolarHBondContact O-N 3.39Å; E938-K941 WeakPolarHBondContact OE1-CD 3.34Å; E938-K941 IonicContact OE1-NZ 3.31Å; E938-K941 PolarHBondContact OE1-NZ 3.46Å; K941-S943 PolarHBondContact O-N 3.28Å
942D86.5Confident92.9Very high138 Ų13839.3 Ų39.374%0.73820%0.201SC*.SBendtrans-71-15.7-179.1-66.7-23.9000113.7E938E938-D942 PolarHBondContact O-N 3.09Å
943S89.8Confident93.1Very high27 Ų2736 Ų3619%0.18919%0.186CC..SBendtrans-82.5136.1-177.4-62.90000111.4R902 K941R902-S943 PolarHBondContact NH1-O 2.98Å; K941-S943 PolarHBondContact O-N 3.28Å
944P92.1Very high93Very high58 Ų5836 Ų3638%0.37719%0.186SC..PPolyproline II helixtrans-63.7162.4177.229-35.6000111.2F852 R902F852-P944 HydrophobicContact CE1-CG 3.97Å; F852-P944 HydrophobicContact CZ-CG 4.06Å; R902-P944 PolarHBondContact NH2-O 2.94Å
945R92.6Very high93Very high41 Ų4134.2 Ų34.216%0.15518%0.179CC..PPolyproline II helixtrans-69.1143.3171.665.1-176.767.9-150.5-2.3110H824 Y825 L919 R998H824-R945 WeakPolarHBondContact NE2-CG 3.25Å; H824-R945 PolarHBondContact NE2-O 2.75Å; Y825-R945 HydrophobicContact CE2-CG 4.36Å; L919-R945 HydrophobicContact CB-CB 4.17Å; L919-R945 HydrophobicContact CD2-CB 4.32Å; R945-R998 VanDerWaalsContact NH1-NH1 3.2Å
946E94.1Very high92.9Very high7 Ų732.6 Ų32.63%0.03317%0.168CC..  trans-100.8-25-179.4-59.7-172.1177.100114R847 F852 S864 L866 L919 D920R847-E946 WeakPolarHBondContact CD-OE2 3.45Å; R847-E946 HydrophobicContact CG-CB 4.28Å; R847-E946 IonicContact NH1-OE2 2.74Å; R847-E946 PolarHBondContact NH1-OE2 2.87Å; F852-E946 HydrophobicContact CB-CG 4.32Å; F852-E946 HydrophobicContact CD1-CG 3.83Å; F852-E946 HydrophobicContact CD2-CB 4.4Å; F852-E946 HydrophobicContact CD2-CG 4.46Å; F852-E946 HydrophobicContact CE1-CG 4.26Å; F852-E946 HydrophobicContact CG-CB 4.26Å; F852-E946 HydrophobicContact CG-CG 3.94Å; S864-E946 WeakPolarHBondContact CB-OE1 3.29Å; S864-E946 WeakPolarHBondContact CB-OE2 3.35Å; S864-E946 PolarHBondContact OG-OE1 2.71Å; S864-E946 PolarHBondContact OG-OE2 2.97Å; L866-E946 WeakPolarHBondContact CB-OE1 3.5Å; L919-E946 PolarHBondContact O-N 3.27Å; L919-E946 VanDerWaalsContact O-N 3.16Å; D920-E946 HydrophobicContact CB-CB 4.37Å; D920-E946 PolarHBondContact OD1-N 3.01Å
947A94.4Very high92.6Very high2 Ų232.7 Ų32.72%0.01717%0.168CC..  trans-87.3126.6177.100000110.7L836 L919 T923L836-A947 HydrophobicContact CD1-CB 3.87Å; L919-A947 WeakPolarHBondContact O-CB 3.36Å; L919-A947 PolarHBondContact O-N 3.24Å; T923-A947 HydrophobicContact CG2-CB 4.19Å
948M95.4Very high92.1Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-120.1140-179.8-57-178177.400110.4Y825 A845 V846 L848 F852 L950 I1000Y825-M948 HydrophobicContact CD1-SD 4.35Å; Y825-M948 HydrophobicContact CD2-CE 3.88Å; Y825-M948 HydrophobicContact CD2-SD 4.23Å; Y825-M948 HydrophobicContact CE1-CB 4.02Å; Y825-M948 HydrophobicContact CE1-CG 4Å; Y825-M948 HydrophobicContact CE1-SD 4.32Å; Y825-M948 HydrophobicContact CE2-CE 3.96Å; Y825-M948 HydrophobicContact CE2-CG 3.92Å; Y825-M948 HydrophobicContact CE2-SD 4.21Å; Y825-M948 HydrophobicContact CG-CE 4.43Å; Y825-M948 HydrophobicContact CG-SD 4.31Å; A845-M948 WeakPolarHBondContact CA-O 3.07Å; V846-M948 HydrophobicContact CG2-CB 4.29Å; V846-M948 PolarHBondContact N-O 2.87Å; V846-M948 PolarHBondContact O-N 2.94Å; L848-M948 HydrophobicContact CD1-CE 3.71Å; L848-M948 HydrophobicContact CD1-SD 3.57Å; L848-M948 VanDerWaalsContact CD1-SD 3.57Å; L848-M948 HydrophobicContact CD2-SD 4.31Å; L848-M948 HydrophobicContact CG-CE 4.11Å; L848-M948 HydrophobicContact CG-SD 3.67Å; F852-M948 HydrophobicContact CE2-CE 3.94Å; M948-L950 PolarHBondContact O-N 2.85Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.45Å; M948-I1000 HydrophobicContact SD-CD1 3.66Å
949D95.6Very high91.8Very high15 Ų1529.9 Ų29.98%0.0816%0.157CC..EExtended strand (participates in β ladder)trans-78.7119.6172.4-1744.8000108.7T923 R951 T999 I1000T923-D949 HydrophobicContact CG2-CB 4.4Å; D949-R951 IonicContact OD1-NE 3.59Å; D949-R951 PolarHBondContact OD1-NE 3.07Å; D949-R951 IonicContact OD2-CZ 3.62Å; D949-R951 IonicContact OD2-NE 3.73Å; D949-R951 PolarHBondContact OD2-NE 2.77Å; D949-R951 IonicContact OD2-NH2 2.69Å; D949-R951 PolarHBondContact OD2-NH2 2.78Å; D949-T999 WeakPolarHBondContact O-CA 3.39Å; D949-I1000 PolarHBondContact O-N 3.13Å
950L97.1Very high91.7Very high0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-116.4126.3179-174.985.1000109.1I831 F833 L844 V846 M948 I1000 V1002 I1005I831-L950 HydrophobicContact CD1-CD1 3.85Å; F833-L950 HydrophobicContact CE1-CD2 3.91Å; F833-L950 HydrophobicContact CE2-CD2 3.78Å; F833-L950 HydrophobicContact CZ-CD2 3.43Å; F833-L950 VanDerWaalsContact CZ-CD2 3.43Å; L844-L950 HydrophobicContact CD1-CD2 4.39Å; L844-L950 PolarHBondContact N-O 3.2Å; L844-L950 PolarHBondContact O-N 3.01Å; V846-L950 HydrophobicContact CG1-CB 3.91Å; V846-L950 HydrophobicContact CG1-CD2 3.91Å; V846-L950 HydrophobicContact CG2-CB 3.78Å; V846-L950 HydrophobicContact CG2-CD2 4.42Å; M948-L950 PolarHBondContact O-N 2.85Å; L950-I1000 WeakPolarHBondContact CA-O 3.29Å; L950-I1000 HydrophobicContact CD1-CB 3.88Å; L950-I1000 HydrophobicContact CD1-CG2 3.68Å; L950-V1002 HydrophobicContact CD1-CG1 3.69Å; L950-V1002 HydrophobicContact CD1-CG2 4.32Å; L950-V1002 HydrophobicContact CG-CG2 4.29Å; L950-I1005 HydrophobicContact CD2-CD1 3.52Å; L950-I1005 HydrophobicContact CD2-CG1 4.13Å
951R96.4Very high91.3Very high41 Ų4128 Ų2816%0.15515%0.148CC..EExtended strand (participates in β ladder)trans-127.9140-177.9-59.7-170.1-175.1-163.94.3113A842 A843 D949 L953 T999 I1000 F1001 V1002A842-R951 VanDerWaalsContact O-CA 3.24Å; A842-R951 WeakPolarHBondContact O-CA 3.36Å; A843-R951 HydrophobicContact CB-CG 4.11Å; D949-R951 IonicContact OD1-NE 3.59Å; D949-R951 PolarHBondContact OD1-NE 3.07Å; D949-R951 IonicContact OD2-CZ 3.62Å; D949-R951 IonicContact OD2-NE 3.73Å; D949-R951 PolarHBondContact OD2-NE 2.77Å; D949-R951 IonicContact OD2-NH2 2.69Å; D949-R951 PolarHBondContact OD2-NH2 2.78Å; R951-L953 PolarHBondContact O-N 2.87Å; R951-T999 HydrophobicContact CB-CG2 4.26Å; R951-T999 HydrophobicContact CG-CG2 3.76Å; R951-I1000 PolarHBondContact N-O 2.77Å; R951-F1001 HydrophobicContact CB-CD1 4.18Å; R951-F1001 HydrophobicContact CB-CE1 4.22Å; R951-F1001 WeakPolarHBondContact O-CA 3.33Å; R951-V1002 WeakPolarHBondContact O-CG2 3.27Å; R951-V1002 PolarHBondContact O-N 3.01Å
952I96.6Very high91.3Very high6 Ų626 Ų263%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-76.9113.9167.6-59.5179.4000107.3A842 G954 L955 V1002 R1003 I1005 L1013 L1014A842-I952 PolarHBondContact O-N 2.79Å; I952-G954 PolarHBondContact O-N 2.92Å; I952-L955 HydrophobicContact CB-CB 4.01Å; I952-L955 HydrophobicContact CB-CD2 4.05Å; I952-L955 HydrophobicContact CD1-CD2 3.86Å; I952-L955 HydrophobicContact CG2-CB 3.68Å; I952-L955 HydrophobicContact CG2-CD2 3.95Å; I952-L955 HydrophobicContact CG2-CG 4.46Å; I952-L955 PolarHBondContact O-N 3.2Å; I952-V1002 CarbonylContact C-O 3.57Å; I952-V1002 WeakPolarHBondContact CA-O 3.43Å; I952-V1002 HydrophobicContact CG1-CG2 4.45Å; I952-R1003 WeakPolarHBondContact CG2-O 3.49Å; I952-I1005 HydrophobicContact CD1-CD1 4.47Å; I952-I1005 HydrophobicContact CG1-CD1 4.26Å; I952-I1005 HydrophobicContact CG1-CG1 4.42Å; I952-L1013 HydrophobicContact CD1-CD2 4.02Å; I952-L1013 HydrophobicContact CD1-CG 4.21Å; I952-L1014 HydrophobicContact CG2-CD1 4.27Å
953L95.5Very high91.3Very high20 Ų2024.9 Ų24.911%0.10513%0.132CC..THydrogen-bonded Turntrans-55.4130.1-178-178.869.7000110.2R951 L955 F1001 V1002 Q1025 C1029 Q1030 L1033R951-L953 PolarHBondContact O-N 2.87Å; L953-L955 PolarHBondContact O-N 3.34Å; L953-F1001 HydrophobicContact CD1-CB 4.33Å; L953-F1001 HydrophobicContact CD1-CD1 3.92Å; L953-F1001 HydrophobicContact CD1-CG 4.3Å; L953-V1002 WeakPolarHBondContact CB-O 3.38Å; L953-V1002 PolarHBondContact N-O 2.78Å; L953-Q1025 PolarHBondContact O-NE2 3Å; L953-C1029 HydrophobicContact CD1-CB 4.15Å; L953-C1029 HydrophobicContact CG-CB 4.34Å; L953-Q1030 HydrophobicContact CD2-CB 4.09Å; L953-L1033 HydrophobicContact CD1-CD1 3.62Å
954G93.4Very high91.2Very high1 Ų125 Ų251%0.0113%0.128CC..THydrogen-bonded Turntrans71.5-7.3173.400000116.8I952 Q956 D1026 C1029I952-G954 PolarHBondContact O-N 2.92Å; G954-Q956 PolarHBondContact O-N 2.95Å; G954-D1026 PolarHBondContact O-N 2.83Å; G954-C1029 PolarHBondContact N-SG 3Å
955L95.1Very high90.7Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-78.4113-179.1-177.961.1000111A842 I952 L953 W964 L1014 V1017A842-L955 HydrophobicContact CB-CB 3.98Å; A842-L955 HydrophobicContact CB-CD2 3.91Å; A842-L955 HydrophobicContact CB-CG 3.95Å; A842-L955 VanDerWaalsContact CB-O 3.32Å; A842-L955 WeakPolarHBondContact CB-O 3.22Å; I952-L955 HydrophobicContact CB-CB 4.01Å; I952-L955 HydrophobicContact CB-CD2 4.05Å; I952-L955 HydrophobicContact CD1-CD2 3.86Å; I952-L955 HydrophobicContact CG2-CB 3.68Å; I952-L955 HydrophobicContact CG2-CD2 3.95Å; I952-L955 HydrophobicContact CG2-CG 4.46Å; I952-L955 PolarHBondContact O-N 3.2Å; L953-L955 PolarHBondContact O-N 3.34Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CZ2 4.08Å; L955-L1014 HydrophobicContact CD1-CD1 3.79Å; L955-L1014 HydrophobicContact CD2-CD1 3.85Å; L955-L1014 HydrophobicContact CG-CD1 4.25Å; L955-V1017 HydrophobicContact CD1-CG1 4.44Å; L955-V1017 HydrophobicContact CD2-CG1 4.19Å
956Q91.5Very high90.2Very high2 Ų227.4 Ų27.41%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-134.7153.7-177.761.5-174.4-10.700111.7F800 G954 S1023 H1024F800-Q956 HydrophobicContact CE1-CB 3.97Å; F800-Q956 HydrophobicContact CZ-CB 4.12Å; G954-Q956 PolarHBondContact O-N 2.95Å; Q956-S1023 CarbonylContact O-C 3.23Å; Q956-S1023 VanDerWaalsContact O-CA 3.32Å; Q956-S1023 WeakPolarHBondContact O-CA 3.45Å; Q956-S1023 WeakPolarHBondContact O-CB 3.46Å; Q956-H1024 HydrophobicContact CG-CB 4.33Å; Q956-H1024 WeakPolarHBondContact CG-O 3.33Å; Q956-H1024 PolarHBondContact N-O 3.35Å; Q956-H1024 PolarHBondContact NE2-CD2 3.3Å; Q956-H1024 VanDerWaalsContact NE2-CD2 3.34Å; Q956-H1024 PolarHBondContact O-N 3.33Å
957P88.8Confident89.5Confident8 Ų829.3 Ų29.35%0.05215%0.154CC..EExtended strand (participates in β ladder)trans-72.5159.2173.830.8-30000110.1S959 R962 W964P957-S959 PolarHBondContact O-N 2.9Å; P957-R962 VanDerWaalsContact CG-C 3.49Å; P957-W964 HydrophobicContact CB-CD2 3.89Å; P957-W964 HydrophobicContact CB-CE3 3.95Å; P957-W964 HydrophobicContact CB-CG 4.42Å; P957-W964 HydrophobicContact CB-CH2 4.45Å; P957-W964 HydrophobicContact CB-CZ2 4.35Å; P957-W964 HydrophobicContact CB-CZ3 4.25Å; P957-W964 HydrophobicContact CG-CD2 4.07Å; P957-W964 HydrophobicContact CG-CG 4.17Å
958E80.3Confident89Confident59 Ų5929.3 Ų29.328%0.27615%0.154SC..SBendtrans-73.146.2173.5-71.7-179.1-179.500112.8M761 R1022M761-E958 HydrophobicContact CE-CB 4.26Å; M761-E958 HydrophobicContact CE-CG 4.43Å; E958-R1022 HydrophobicContact CB-CB 4.18Å; E958-R1022 HydrophobicContact CG-CB 4.13Å; E958-R1022 PolarHBondContact N-O 2.84Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.39Å
959S83.8Confident88.7Confident40 Ų4033 Ų3328%0.2817%0.168SC..SBendtrans-131.5144.8173.267.70000110.1P957 D961 R962P957-S959 PolarHBondContact O-N 2.9Å; S959-D961 VanDerWaalsContact C-N 3.29Å; S959-D961 PolarHBondContact O-N 2.81Å; S959-R962 PolarHBondContact O-N 2.88Å; S959-R962 VanDerWaalsContact O-N 3.11Å; S959-R962 PolarHBondContact OG-N 2.86Å
960L85.9Confident88.2Confident3 Ų335 Ų352%0.01618%0.179CC..THydrogen-bonded Turntrans-66.2-32.2178.5-71.7-170.9000113.1W754 C757 D758 M761 L772 L804 R962W754-L960 HydrophobicContact CD2-CD1 3.86Å; W754-L960 HydrophobicContact CE3-CD1 4.44Å; W754-L960 HydrophobicContact CG-CD1 4.16Å; W754-L960 HydrophobicContact CZ2-CB 3.81Å; W754-L960 HydrophobicContact CZ2-CD1 3.99Å; W754-L960 WeakPolarHBondContact O-CD1 3.27Å; C757-L960 HydrophobicContact CB-CD1 3.72Å; C757-L960 HydrophobicContact CB-CD2 4.18Å; D758-L960 HydrophobicContact CB-CD1 3.79Å; D758-L960 HydrophobicContact CB-CG 4.41Å; M761-L960 HydrophobicContact CG-CD2 4.04Å; L772-L960 HydrophobicContact CD2-CD2 3.63Å; L804-L960 HydrophobicContact CD1-CD2 4.5Å; L960-R962 PolarHBondContact O-N 2.81Å
961D84Confident87.6Confident63 Ų6337.2 Ų37.234%0.33719%0.19SC..THydrogen-bonded Turntrans-72-10176.6-63.2-45.4000112.4Q796 S959 I963Q796-D961 PolarHBondContact NE2-O 3.32Å; S959-D961 VanDerWaalsContact C-N 3.29Å; S959-D961 PolarHBondContact O-N 2.81Å; D961-I963 HydrophobicContact CB-CD1 4Å; D961-I963 HydrophobicContact CB-CG1 4.02Å; D961-I963 WeakPolarHBondContact O-CG1 3.44Å; D961-I963 PolarHBondContact O-N 3.42Å; D961-I963 VanDerWaalsContact O-N 3.16Å
962R88.6Confident87.3Confident15 Ų1535.3 Ų35.36%0.05718%0.183CC..  trans53.831.6-179.9-59.4176.4171.5159.8-17.2112.9F800 D802 P957 S959 L960F800-R962 VanDerWaalsContact CD2-CD 3.42Å; F800-R962 HydrophobicContact CE2-CB 4.06Å; F800-R962 VanDerWaalsContact CE2-CD 3.46Å; F800-R962 HydrophobicContact CE2-CG 4.36Å; D802-R962 PolarHBondContact O-NH1 2.89Å; D802-R962 IonicContact OD1-CZ 2.71Å; D802-R962 IonicContact OD1-NH1 3.95Å; D802-R962 PolarHBondContact OD1-NH1 2.96Å; D802-R962 IonicContact OD1-NH2 3.74Å; D802-R962 PolarHBondContact OD1-NH2 2.78Å; D802-R962 IonicContact OD2-NH2 3.52Å; D802-R962 PolarHBondContact OD2-NH2 2.96Å; P957-R962 VanDerWaalsContact CG-C 3.49Å; S959-R962 PolarHBondContact O-N 2.88Å; S959-R962 VanDerWaalsContact O-N 3.11Å; S959-R962 PolarHBondContact OG-N 2.86Å; L960-R962 PolarHBondContact O-N 2.81Å
963I86.4Confident86.9Confident115 Ų11539.9 Ų39.959%0.5920%0.2SC*.PPolyproline II helixtrans-95.2119.1178.6-60.2175.3000107.6D961D961-I963 HydrophobicContact CB-CD1 4Å; D961-I963 HydrophobicContact CB-CG1 4.02Å; D961-I963 WeakPolarHBondContact O-CG1 3.44Å; D961-I963 PolarHBondContact O-N 3.42Å; D961-I963 VanDerWaalsContact O-N 3.16Å
964W87.7Confident86.3Confident28 Ų2845.7 Ų45.711%0.10622%0.224CC..PPolyproline II helixtrans-73.5134.2170.5-71.997.8000109.5S840 P841 A842 L955 P957 A968 V1017 F1021S840-W964 VanDerWaalsContact CB-CD1 3.48Å; P841-W964 HydrophobicContact CB-CD2 4.17Å; P841-W964 HydrophobicContact CB-CE3 4.09Å; P841-W964 HydrophobicContact CB-CH2 4.07Å; P841-W964 HydrophobicContact CB-CZ2 4.2Å; P841-W964 HydrophobicContact CB-CZ3 4.03Å; P841-W964 HydrophobicContact CG-CD2 3.82Å; P841-W964 HydrophobicContact CG-CE3 3.56Å; P841-W964 HydrophobicContact CG-CG 4.33Å; P841-W964 HydrophobicContact CG-CH2 4.42Å; P841-W964 HydrophobicContact CG-CZ3 3.88Å; A842-W964 HydrophobicContact CB-CZ2 4.38Å; L955-W964 HydrophobicContact CD1-CZ2 4.47Å; L955-W964 HydrophobicContact CG-CZ2 4.08Å; P957-W964 HydrophobicContact CB-CD2 3.89Å; P957-W964 HydrophobicContact CB-CE3 3.95Å; P957-W964 HydrophobicContact CB-CG 4.42Å; P957-W964 HydrophobicContact CB-CH2 4.45Å; P957-W964 HydrophobicContact CB-CZ2 4.35Å; P957-W964 HydrophobicContact CB-CZ3 4.25Å; P957-W964 HydrophobicContact CG-CD2 4.07Å; P957-W964 HydrophobicContact CG-CG 4.17Å; W964-A968 HydrophobicContact CE3-CB 4.24Å; W964-V1017 HydrophobicContact CH2-CG1 3.71Å; W964-V1017 HydrophobicContact CZ3-CG1 4.18Å; W964-F1021 HydrophobicContact CZ3-CB 4.09Å
965P81.8Confident85.8Confident53 Ų5347.3 Ų47.334%0.34423%0.233SC..PPolyproline II helixtrans-72.8150.7177.534.4-37.5000110.6D967 A968 R969P965-D967 WeakPolarHBondContact CB-OD1 3.4Å; P965-D967 WeakPolarHBondContact CG-OD1 3.4Å; P965-D967 PolarHBondContact O-N 3.12Å; P965-A968 HydrophobicContact CG-CB 3.97Å; P965-A968 WeakPolarHBondContact O-CB 3.3Å; P965-A968 PolarHBondContact O-N 2.86Å; P965-A968 VanDerWaalsContact O-N 3.1Å; P965-R969 PolarHBondContact O-N 3.36Å
966D82.4Confident85.4Confident97 Ų9747.7 Ų47.752%0.51923%0.234SC..Hα-helixtrans-60.6-30.7-174.4-74.5-46.2000113.3R969 N970D966-R969 PolarHBondContact O-N 2.95Å; D966-R969 IonicContact OD1-CZ 3.12Å; D966-R969 IonicContact OD1-NH1 2.61Å; D966-R969 PolarHBondContact OD1-NH1 3.12Å; D966-R969 IonicContact OD1-NH2 2.79Å; D966-R969 PolarHBondContact OD1-NH2 2.93Å; D966-N970 VanDerWaalsContact O-CB 3.24Å; D966-N970 WeakPolarHBondContact O-CB 3.45Å; D966-N970 PolarHBondContact O-N 3.3Å; D966-N970 PolarHBondContact O-ND2 2.89Å
967D78.5Confident85.1Confident48 Ų4848.7 Ų48.726%0.25724%0.239SC..Hα-helixtrans-63-43.6175.256.2-10.7000111.6R544 P965 N970 L971R544-D967 IonicContact NE-OD2 3.55Å; P965-D967 WeakPolarHBondContact CB-OD1 3.4Å; P965-D967 WeakPolarHBondContact CG-OD1 3.4Å; P965-D967 PolarHBondContact O-N 3.12Å; D967-N970 PolarHBondContact O-N 3.12Å; D967-L971 WeakPolarHBondContact O-CB 3.32Å; D967-L971 PolarHBondContact O-N 3.26Å
968A84.9Confident84.4Confident1 Ų156.6 Ų56.61%0.00827%0.268CS..Hα-helixtrans-62.9-46175.600000111.8P841 W964 P965 N970 L971 V972 F1021P841-A968 HydrophobicContact CG-CB 4.02Å; W964-A968 HydrophobicContact CE3-CB 4.24Å; P965-A968 HydrophobicContact CG-CB 3.97Å; P965-A968 WeakPolarHBondContact O-CB 3.3Å; P965-A968 PolarHBondContact O-N 2.86Å; P965-A968 VanDerWaalsContact O-N 3.1Å; A968-N970 PolarHBondContact O-N 3.36Å; A968-L971 PolarHBondContact O-N 3.12Å; A968-V972 WeakPolarHBondContact O-CG2 3.47Å; A968-V972 PolarHBondContact O-N 3.2Å; A968-F1021 VanDerWaalsContact CA-CE1 3.49Å; A968-F1021 HydrophobicContact CB-CD1 3.72Å; A968-F1021 HydrophobicContact CB-CE1 3.55Å; A968-F1021 HydrophobicContact CB-CE2 4.44Å; A968-F1021 HydrophobicContact CB-CG 4.23Å; A968-F1021 HydrophobicContact CB-CZ 3.92Å
969R89Confident83.2Confident77 Ų7758.6 Ų58.629%0.29127%0.273SS..Hα-helixtrans-57.3-48.5173.4-179.1-169.969.7-149.6-11.6111.2C838 Y839 P965 D966 L971 V972 R973C838-R969 VanDerWaalsContact O-CD 3.29Å; C838-R969 WeakPolarHBondContact O-CD 3.41Å; C838-R969 VanDerWaalsContact O-CG 3.32Å; C838-R969 WeakPolarHBondContact O-CG 3.31Å; Y839-R969 WeakPolarHBondContact O-CD 3.38Å; Y839-R969 WeakPolarHBondContact O-CG 3.46Å; P965-R969 PolarHBondContact O-N 3.36Å; D966-R969 PolarHBondContact O-N 2.95Å; D966-R969 IonicContact OD1-CZ 3.12Å; D966-R969 IonicContact OD1-NH1 2.61Å; D966-R969 PolarHBondContact OD1-NH1 3.12Å; D966-R969 IonicContact OD1-NH2 2.79Å; D966-R969 PolarHBondContact OD1-NH2 2.93Å; R969-L971 PolarHBondContact O-N 3.31Å; R969-V972 PolarHBondContact O-N 3.14Å; R969-R973 VanDerWaalsContact O-CB 3.25Å; R969-R973 WeakPolarHBondContact O-CB 3.47Å; R969-R973 PolarHBondContact O-N 3.32Å
970N85.1Confident81.4Confident59 Ų5960.3 Ų60.332%0.31628%0.281SS..Hα-helixtrans-65.5-38.8-177.3-78.7-34.9000112.5D966 D967 A968 R973 K974D966-N970 VanDerWaalsContact O-CB 3.24Å; D966-N970 WeakPolarHBondContact O-CB 3.45Å; D966-N970 PolarHBondContact O-N 3.3Å; D966-N970 PolarHBondContact O-ND2 2.89Å; D967-N970 PolarHBondContact O-N 3.12Å; A968-N970 PolarHBondContact O-N 3.36Å; N970-R973 PolarHBondContact O-N 3.17Å; N970-R973 PolarHBondContact OD1-NH2 2.97Å; N970-K974 VanDerWaalsContact O-CB 3.28Å; N970-K974 WeakPolarHBondContact O-CB 3.35Å; N970-K974 PolarHBondContact O-N 3.4Å
971L84.2Confident79.3Confident46 Ų4667.5 Ų67.524%0.24132%0.315CS..Hα-helixtrans-67-50.2176.7-170.3157.5000110.1D967 A968 R969 R973 K974 D975 F1016 F1021D967-L971 WeakPolarHBondContact O-CB 3.32Å; D967-L971 PolarHBondContact O-N 3.26Å; A968-L971 PolarHBondContact O-N 3.12Å; R969-L971 PolarHBondContact O-N 3.31Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.36Å; L971-K974 PolarHBondContact O-N 2.89Å; L971-K974 VanDerWaalsContact O-N 3.12Å; L971-D975 HydrophobicContact CD2-CB 3.99Å; L971-D975 HydrophobicContact CG-CB 4.46Å; L971-D975 WeakPolarHBondContact O-CA 3.35Å; L971-D975 WeakPolarHBondContact O-CB 3.1Å; L971-D975 PolarHBondContact O-N 3.25Å; L971-F1016 HydrophobicContact CD2-CE1 3.69Å; L971-F1016 HydrophobicContact CD2-CZ 3.54Å; L971-F1021 HydrophobicContact CB-CZ 3.98Å; L971-F1021 HydrophobicContact CD1-CE1 4.39Å; L971-F1021 HydrophobicContact CD1-CZ 4.18Å; L971-F1021 HydrophobicContact CD2-CE2 4.36Å; L971-F1021 HydrophobicContact CD2-CZ 3.77Å; L971-F1021 HydrophobicContact CG-CZ 4.17Å
972V89.2Confident77.5Confident0 Ų072.5 Ų72.50%034%0.341CS..Hα-helixtrans-56.8-44.5175.3172.20000111.2P841 A968 R969 K974 F976 F977 L1013 F1016 V1017 F1021P841-V972 HydrophobicContact CB-CG2 4.05Å; P841-V972 HydrophobicContact CG-CG2 3.94Å; A968-V972 WeakPolarHBondContact O-CG2 3.47Å; A968-V972 PolarHBondContact O-N 3.2Å; R969-V972 PolarHBondContact O-N 3.14Å; V972-K974 PolarHBondContact O-N 3.15Å; V972-F976 HydrophobicContact CG1-CB 4.31Å; V972-F976 WeakPolarHBondContact O-CA 3.48Å; V972-F976 WeakPolarHBondContact O-CB 3.27Å; V972-F976 PolarHBondContact O-N 3.42Å; V972-F977 HydrophobicContact CG1-CD2 3.88Å; V972-F977 HydrophobicContact CG1-CE2 3.5Å; V972-F977 VanDerWaalsContact CG1-CE2 3.5Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 2.92Å; V972-F977 VanDerWaalsContact O-N 3.14Å; V972-L1013 HydrophobicContact CG1-CD1 3.7Å; V972-F1016 HydrophobicContact CG2-CD1 4.33Å; V972-F1016 HydrophobicContact CG2-CE1 4.02Å; V972-V1017 HydrophobicContact CG2-CG2 4.03Å; V972-F1021 HydrophobicContact CG2-CE2 3.78Å; V972-F1021 HydrophobicContact CG2-CZ 4.33Å
973R87.9Confident75.9Confident102 Ų10278.4 Ų78.439%0.38537%0.367SS..Iπ-helixtrans-58.7-43.8176.2-174.6177.965.7154-4112.6C838 R969 N970 L971 R978C838-R973 HydrophobicContact CB-CB 4.42Å; R969-R973 VanDerWaalsContact O-CB 3.25Å; R969-R973 WeakPolarHBondContact O-CB 3.47Å; R969-R973 PolarHBondContact O-N 3.32Å; N970-R973 PolarHBondContact O-N 3.17Å; N970-R973 PolarHBondContact OD1-NH2 2.97Å; L971-R973 VanDerWaalsContact C-N 3.28Å; L971-R973 PolarHBondContact O-N 3.36Å; R973-R978 VanDerWaalsContact O-CB 3.31Å; R973-R978 WeakPolarHBondContact O-CB 3.36Å; R973-R978 WeakPolarHBondContact O-CG 3.49Å; R973-R978 PolarHBondContact O-N 2.9Å; R973-R978 VanDerWaalsContact O-N 3.12Å
974K83.5Confident74.5Confident143 Ų14382.3 Ų82.362%0.62238%0.375SS*.Iπ-helixtrans-79.8-40.2-177.2-171.7-178176-176.30112.6N970 L971 V972 R978 R979N970-K974 VanDerWaalsContact O-CB 3.28Å; N970-K974 WeakPolarHBondContact O-CB 3.35Å; N970-K974 PolarHBondContact O-N 3.4Å; L971-K974 PolarHBondContact O-N 2.89Å; L971-K974 VanDerWaalsContact O-N 3.12Å; V972-K974 PolarHBondContact O-N 3.15Å; K974-R978 CarbonylContact O-C 3.47Å; K974-R978 VanDerWaalsContact O-CB 3.3Å; K974-R978 WeakPolarHBondContact O-CB 3.33Å; K974-R979 PolarHBondContact O-N 2.95Å
975D83.3Confident73.3Confident34 Ų3485.7 Ų85.718%0.18240%0.395CS..Iπ-helixtrans-106-15.7-163.3-73.8-7.2000114.3L971 R979 F1016L971-D975 HydrophobicContact CD2-CB 3.99Å; L971-D975 HydrophobicContact CG-CB 4.46Å; L971-D975 WeakPolarHBondContact O-CA 3.35Å; L971-D975 WeakPolarHBondContact O-CB 3.1Å; L971-D975 PolarHBondContact O-N 3.25Å; D975-R979 HydrophobicContact CB-CG 4.48Å; D975-R979 VanDerWaalsContact CB-CZ 3.46Å; D975-R979 VanDerWaalsContact CB-NE 3.31Å; D975-R979 VanDerWaalsContact O-CB 3.23Å; D975-R979 WeakPolarHBondContact O-CB 3.31Å; D975-R979 WeakPolarHBondContact O-CD 3.44Å; D975-R979 WeakPolarHBondContact O-CG 3.47Å; D975-R979 PolarHBondContact O-NE 2.84Å; D975-R979 IonicContact OD1-CZ 3.51Å; D975-R979 IonicContact OD1-NE 2.72Å; D975-R979 PolarHBondContact OD1-NE 3.48Å; D975-R979 IonicContact OD1-NH2 3.5Å; D975-R979 IonicContact OD2-CZ 3.56Å; D975-R979 IonicContact OD2-NE 3.57Å; D975-R979 IonicContact OD2-NH2 2.75Å; D975-R979 PolarHBondContact OD2-NH2 3.28Å; D975-F1016 HydrophobicContact CB-CE2 4.35Å; D975-F1016 HydrophobicContact CB-CZ 3.77Å
976F86.9Confident73.1Confident9 Ų984.5 Ų84.54%0.03938%0.383CS..Iπ-helixtrans-109.9-56.7171.3-169.1-89.1000109.8V972 R986 F988 N1011 L1013 F1016V972-F976 HydrophobicContact CG1-CB 4.31Å; V972-F976 WeakPolarHBondContact O-CA 3.48Å; V972-F976 WeakPolarHBondContact O-CB 3.27Å; V972-F976 PolarHBondContact O-N 3.42Å; F976-R986 PolarHBondContact O-NH1 3.34Å; F976-F988 HydrophobicContact CD1-CE1 4.36Å; F976-F988 HydrophobicContact CE1-CD1 4.27Å; F976-F988 AromaticContact CE1-CE1 3.96Å; F976-F988 HydrophobicContact CE1-CE1 3.96Å; F976-N1011 HydrophobicContact CE2-CB 4.13Å; F976-L1013 HydrophobicContact CB-CD1 4.18Å; F976-L1013 HydrophobicContact CD1-CB 4.33Å; F976-L1013 HydrophobicContact CD1-CD1 3.75Å; F976-L1013 HydrophobicContact CD1-CG 4.45Å; F976-L1013 HydrophobicContact CD2-CD1 4.02Å; F976-L1013 HydrophobicContact CE1-CB 3.79Å; F976-L1013 HydrophobicContact CE1-CD1 4.1Å; F976-L1013 HydrophobicContact CE1-CG 4.35Å; F976-L1013 HydrophobicContact CE2-CB 4.03Å; F976-L1013 HydrophobicContact CE2-CD1 4.35Å; F976-L1013 HydrophobicContact CG-CD1 3.7Å; F976-L1013 HydrophobicContact CZ-CB 3.62Å; F976-L1013 HydrophobicContact CZ-CD1 4.39Å; F976-F1016 HydrophobicContact CB-CD1 4.34Å; F976-F1016 HydrophobicContact CB-CE1 4.26Å; F976-F1016 HydrophobicContact CB-CZ 4.37Å; F976-F1016 HydrophobicContact CD2-CB 3.95Å; F976-F1016 HydrophobicContact CD2-CD1 4.34Å; F976-F1016 AromaticContact CD2-CD2 3.96Å; F976-F1016 HydrophobicContact CD2-CD2 3.96Å; F976-F1016 AromaticContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å
977F85.3Confident73.3Confident23 Ų2383.5 Ų83.510%0.10138%0.376CS..Iπ-helixtrans-77.3-27.1-176-61.5-54.1000114.3V835 C838 L844 V972 F988 L1013V835-F977 HydrophobicContact CB-CD1 4.46Å; V835-F977 HydrophobicContact CG1-CD1 4.49Å; V835-F977 HydrophobicContact CG1-CG 4.48Å; V835-F977 HydrophobicContact CG2-CD1 3.9Å; V835-F977 HydrophobicContact CG2-CE1 3.76Å; V835-F977 HydrophobicContact CG2-CZ 4.37Å; C838-F977 HydrophobicContact CB-CD2 4.1Å; C838-F977 HydrophobicContact CB-CE2 4.07Å; L844-F977 HydrophobicContact CD1-CE1 4.25Å; L844-F977 HydrophobicContact CD1-CE2 4.36Å; L844-F977 HydrophobicContact CD1-CZ 3.6Å; L844-F977 HydrophobicContact CD2-CE2 3.6Å; L844-F977 HydrophobicContact CD2-CZ 3.7Å; L844-F977 HydrophobicContact CG-CZ 4.33Å; V972-F977 HydrophobicContact CG1-CD2 3.88Å; V972-F977 HydrophobicContact CG1-CE2 3.5Å; V972-F977 VanDerWaalsContact CG1-CE2 3.5Å; V972-F977 HydrophobicContact CG1-CZ 4.28Å; V972-F977 PolarHBondContact O-N 2.92Å; V972-F977 VanDerWaalsContact O-N 3.14Å; F977-F988 HydrophobicContact CD1-CD1 4.42Å; F977-F988 AromaticContact CD1-CE1 3.76Å; F977-F988 HydrophobicContact CD1-CE1 3.76Å; F977-F988 HydrophobicContact CD1-CE2 4.16Å; F977-F988 AromaticContact CD1-CZ 3.63Å; F977-F988 HydrophobicContact CD1-CZ 3.63Å; F977-F988 HydrophobicContact CE1-CD1 4.41Å; F977-F988 HydrophobicContact CE1-CE1 4.16Å; F977-F988 HydrophobicContact CE1-CZ 4.38Å; F977-L1013 HydrophobicContact CE1-CD2 4.26Å; F977-L1013 HydrophobicContact CE2-CD2 4.49Å; F977-L1013 HydrophobicContact CZ-CD2 3.63Å
978R74.8Confident74Confident174 Ų17481.5 Ų81.566%0.65737%0.365SS*.SBendtrans-108.4-6.4179.3-71.4176.6178.5-162.2-0.9114.6R973 K974R973-R978 VanDerWaalsContact O-CB 3.31Å; R973-R978 WeakPolarHBondContact O-CB 3.36Å; R973-R978 WeakPolarHBondContact O-CG 3.49Å; R973-R978 PolarHBondContact O-N 2.9Å; R973-R978 VanDerWaalsContact O-N 3.12Å; K974-R978 CarbonylContact O-C 3.47Å; K974-R978 VanDerWaalsContact O-CB 3.3Å; K974-R978 WeakPolarHBondContact O-CB 3.33Å
979R54.6Low74.6Confident101 Ų10184.1 Ų84.138%0.38138%0.377SS..  trans-67.9140-179.8-107.2-177.2-148.3173.3-8.9110.8K974 D975 R986K974-R979 PolarHBondContact O-N 2.95Å; D975-R979 HydrophobicContact CB-CG 4.48Å; D975-R979 VanDerWaalsContact CB-CZ 3.46Å; D975-R979 VanDerWaalsContact CB-NE 3.31Å; D975-R979 VanDerWaalsContact O-CB 3.23Å; D975-R979 WeakPolarHBondContact O-CB 3.31Å; D975-R979 WeakPolarHBondContact O-CD 3.44Å; D975-R979 WeakPolarHBondContact O-CG 3.47Å; D975-R979 PolarHBondContact O-NE 2.84Å; D975-R979 IonicContact OD1-CZ 3.51Å; D975-R979 IonicContact OD1-NE 2.72Å; D975-R979 PolarHBondContact OD1-NE 3.48Å; D975-R979 IonicContact OD1-NH2 3.5Å; D975-R979 IonicContact OD2-CZ 3.56Å; D975-R979 IonicContact OD2-NE 3.57Å; D975-R979 IonicContact OD2-NH2 2.75Å; D975-R979 PolarHBondContact OD2-NH2 3.28Å; R979-R986 PolarHBondContact O-NH1 2.98Å
980T45.5Very low75Confident75 Ų7580.5 Ų80.546%0.4636%0.363SS..SBendtrans68106.9156.5450000118.1
981H42.2Very low75.5Confident155 Ų15581.1 Ų81.172%0.71837%0.369SS*.SBendtrans75.2139.2169.2-54.3-69.9000116.3K983H981-K983 PolarHBondContact O-N 2.99Å
982N46.3Very low76.1Confident167 Ų16779.2 Ų79.289%0.89336%0.359SS*.  trans-51.423.7178.7-76.9-28.6000116.8R984N982-R984 PolarHBondContact O-N 2.98Å
983K54.2Low76.4Confident140 Ų14082.5 Ų82.561%0.60938%0.375SS*.  trans-73.893.7173.2-69.1-175.6-178.9174.70108.4H981 N985 R986H981-K983 PolarHBondContact O-N 2.99Å; K983-N985 PolarHBondContact O-N 3.32Å; K983-R986 HydrophobicContact CB-CG 4.34Å
984R57.4Low76.7Confident196 Ų19678.5 Ų78.574%0.7436%0.362SS*.SBendtrans-55.4-22177.3-68.5179.4176.6175.8-1.9112.1R857 N982R857-R984 PolarHBondContact NH2-O 3.46Å; N982-R984 PolarHBondContact O-N 2.98Å
985N62.3Low77.2Confident100 Ų10072.4 Ų72.454%0.53534%0.338SS..  trans-121.969-176.7-65.6-11.1000112.9R857 K983 Q987R857-N985 PolarHBondContact NE-OD1 3.4Å; R857-N985 PolarHBondContact NH2-OD1 2.8Å; K983-N985 PolarHBondContact O-N 3.32Å; N985-Q987 PolarHBondContact O-N 2.85Å
986R78.6Confident77.6Confident27 Ų2771.5 Ų71.510%0.10233%0.333CS..  trans-73.3126.2169-66.8-171.870.4-162.2-7.7109.5L834 F976 R979 K983 F988 D1007L834-R986 WeakPolarHBondContact CD1-O 3.4Å; F976-R986 PolarHBondContact O-NH1 3.34Å; R979-R986 PolarHBondContact O-NH1 2.98Å; K983-R986 HydrophobicContact CB-CG 4.34Å; R986-F988 HydrophobicContact CB-CE2 4.07Å; R986-F988 HydrophobicContact CB-CZ 4.15Å; R986-D1007 IonicContact CZ-OD2 3.23Å; R986-D1007 VanDerWaalsContact NH2-CB 3.27Å; R986-D1007 VanDerWaalsContact NH2-CG 3.3Å; R986-D1007 IonicContact NH2-OD2 3.27Å; R986-D1007 PolarHBondContact NH2-OD2 2.86Å
987Q85.9Confident77.6Confident76 Ų7673.5 Ų73.536%0.35534%0.343SS..  trans-97.4154171-71-171.4-12.500109.4N985 D1008N985-Q987 PolarHBondContact O-N 2.85Å; Q987-D1008 PolarHBondContact N-OD2 3.45Å; Q987-D1008 VanDerWaalsContact N-OD2 3.12Å; Q987-D1008 VanDerWaalsContact O-CG 3.31Å
988F93.9Very high77.7Confident6 Ų675.6 Ų75.63%0.02635%0.35CS..EExtended strand (participates in β ladder)trans-129.5153.5176.1-60.2-88.5000108.2R832 F833 V835 F976 F977 R986 I1005 Y1006 D1007R832-F988 CarbonylContact C-O 3.59Å; R832-F988 WeakPolarHBondContact CA-O 3.16Å; F833-F988 HydrophobicContact CD2-CB 4.03Å; F833-F988 HydrophobicContact CE1-CB 4.33Å; F833-F988 HydrophobicContact CE2-CB 3.56Å; F833-F988 HydrophobicContact CE2-CG 4.4Å; F833-F988 HydrophobicContact CZ-CB 3.73Å; F833-F988 PolarHBondContact N-O 3.44Å; F833-F988 PolarHBondContact O-N 2.79Å; V835-F988 HydrophobicContact CB-CE2 4.49Å; V835-F988 HydrophobicContact CG2-CD2 3.71Å; V835-F988 HydrophobicContact CG2-CE2 3.97Å; V835-F988 HydrophobicContact CG2-CG 4.29Å; F976-F988 HydrophobicContact CD1-CE1 4.36Å; F976-F988 HydrophobicContact CE1-CD1 4.27Å; F976-F988 AromaticContact CE1-CE1 3.96Å; F976-F988 HydrophobicContact CE1-CE1 3.96Å; F977-F988 HydrophobicContact CD1-CD1 4.42Å; F977-F988 AromaticContact CD1-CE1 3.76Å; F977-F988 HydrophobicContact CD1-CE1 3.76Å; F977-F988 HydrophobicContact CD1-CE2 4.16Å; F977-F988 AromaticContact CD1-CZ 3.63Å; F977-F988 HydrophobicContact CD1-CZ 3.63Å; F977-F988 HydrophobicContact CE1-CD1 4.41Å; F977-F988 HydrophobicContact CE1-CE1 4.16Å; F977-F988 HydrophobicContact CE1-CZ 4.38Å; R986-F988 HydrophobicContact CB-CE2 4.07Å; R986-F988 HydrophobicContact CB-CZ 4.15Å; F988-I1005 HydrophobicContact CB-CG2 4.19Å; F988-I1005 HydrophobicContact CD1-CG2 4.36Å; F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.48Å; F988-D1007 HydrophobicContact CD1-CB 3.81Å; F988-D1007 HydrophobicContact CE1-CB 3.7Å
989H95.8Very high78.7Confident57 Ų5767.8 Ų67.826%0.26432%0.322SS..EExtended strand (participates in β ladder)trans-135.7151178.362.1-86.4000111.8L830 I831 R832 Y1006 D1007L830-H989 HydrophobicContact CD1-CB 4.22Å; I831-H989 WeakPolarHBondContact O-CA 3.43Å; I831-H989 WeakPolarHBondContact O-CB 3.41Å; R832-H989 HydrophobicContact CG-CB 4.33Å; H989-Y1006 PolarHBondContact N-O 3.14Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.48Å; H989-Y1006 PolarHBondContact O-N 3.34Å; H989-D1007 PolarHBondContact CE1-O 2.84Å; H989-D1007 VanDerWaalsContact CE1-O 3.3Å
990A97.4Very high80.7Confident0 Ų063 Ų630%030%0.304CS..EExtended strand (participates in β ladder)trans-153.5158179.700000110.6I831 F833 V1002 N1004 I1005I831-A990 HydrophobicContact CG1-CB 4.28Å; I831-A990 VanDerWaalsContact CG1-O 3.27Å; I831-A990 WeakPolarHBondContact CG1-O 3.32Å; I831-A990 PolarHBondContact N-O 3.17Å; I831-A990 PolarHBondContact O-N 3.08Å; I831-A990 VanDerWaalsContact O-N 3.12Å; F833-A990 HydrophobicContact CE1-CB 3.77Å; F833-A990 HydrophobicContact CZ-CB 4.35Å; A990-V1002 HydrophobicContact CB-CB 4.02Å; A990-V1002 HydrophobicContact CB-CG1 3.72Å; A990-V1002 HydrophobicContact CB-CG2 4.23Å; A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.36Å; A990-I1005 HydrophobicContact CB-CG1 4.36Å
991V97.1Very high83.1Confident72 Ų7259.5 Ų59.544%0.43628%0.282SS..EExtended strand (participates in β ladder)trans-102.2117.4175.1-178.50000109.3G829 L830 Q993G829-V991 WeakPolarHBondContact O-CA 3.3Å; L830-V991 HydrophobicContact CD1-CG2 4.07Å; V991-Q993 PolarHBondContact O-N 2.97Å; V991-Q993 PolarHBondContact O-NE2 2.7Å
992V97.1Very high85.8Confident6 Ų652.1 Ų52.14%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-66125.6178.1-179.20000109.6P826 G829 I831 I1000P826-V992 HydrophobicContact CB-CG2 4.23Å; P826-V992 HydrophobicContact CG-CG2 4.17Å; G829-V992 PolarHBondContact O-N 2.85Å; I831-V992 HydrophobicContact CB-CG2 4.46Å; I831-V992 HydrophobicContact CD1-CG2 3.97Å; I831-V992 HydrophobicContact CG1-CG2 4.02Å; I831-V992 HydrophobicContact CG2-CG2 3.62Å; V992-I1000 HydrophobicContact CB-CG2 4.42Å; V992-I1000 HydrophobicContact CG1-CG2 3.95Å; V992-I1000 HydrophobicContact CG2-CG2 3.77Å
993Q95.1Very high88.1Confident70 Ų7052.2 Ų52.233%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-92.9-46174.1-61.4-59.6-7300111.1V991 F1001 R1003V991-Q993 PolarHBondContact O-N 2.97Å; V991-Q993 PolarHBondContact O-NE2 2.7Å; Q993-F1001 PolarHBondContact N-O 2.83Å; Q993-R1003 HydrophobicContact CG-CG 3.65Å
994S93.2Very high90.1Very high17 Ų1746.1 Ų46.112%0.11921%0.21CC..EExtended strand (participates in β ladder)trans-156.7157179.857.20000109.4F1001 Q1030S994-F1001 PolarHBondContact O-N 3.13Å; S994-Q1030 PolarHBondContact OG-OE1 2.86Å; S994-Q1030 VanDerWaalsContact OG-OE1 3.04Å
995A94.1Very high91.9Very high15 Ų1536.8 Ų36.812%0.12418%0.175CC..EExtended strand (participates in β ladder)trans-130.2121.617000000107.6P821 T999P821-A995 HydrophobicContact CB-CB 3.93Å; P821-A995 HydrophobicContact CG-CB 3.95Å; A995-T999 WeakPolarHBondContact CA-O 3.41Å
996I91.9Very high93.5Very high15 Ų1535.9 Ų35.98%0.07716%0.164CC..EExtended strand (participates in β ladder)trans-128.6127.4-177.1-57.5170.7000106.6M814 R998 T999 F1001 L1033 M1036 V1037M814-I996 HydrophobicContact CE-CG2 3.57Å; M814-I996 HydrophobicContact SD-CG2 4.1Å; I996-R998 PolarHBondContact O-N 3.18Å; I996-T999 PolarHBondContact N-O 3.28Å; I996-T999 PolarHBondContact O-N 3.19Å; I996-F1001 HydrophobicContact CB-CE2 4.14Å; I996-F1001 HydrophobicContact CD1-CE2 4.23Å; I996-F1001 HydrophobicContact CG1-CE2 4.37Å; I996-L1033 HydrophobicContact CD1-CB 3.82Å; I996-L1033 HydrophobicContact CD1-CD1 4.48Å; I996-M1036 HydrophobicContact CG2-CE 4.4Å; I996-V1037 HydrophobicContact CD1-CG2 4.12Å; I996-V1037 HydrophobicContact CG1-CG2 4.4Å; I996-V1037 HydrophobicContact CG2-CG2 3.81Å
997H87.3Confident94.1Very high52 Ų5234.8 Ų34.824%0.24116%0.16CC..THydrogen-bonded Turntrans50.8-128.7-172.4-166.759.4000111.2M814 E818 V819 P821 P822 T999M814-H997 HydrophobicContact CE-CB 3.66Å; E818-H997 WeakPolarHBondContact O-CA 3.33Å; E818-H997 WeakPolarHBondContact O-CB 3.46Å; E818-H997 PolarHBondContact O-N 2.66Å; E818-H997 PolarHBondContact O-ND1 2.84Å; V819-H997 PolarHBondContact O-N 2.78Å; P821-H997 WeakPolarHBondContact CA-O 3.28Å; P821-H997 WeakPolarHBondContact CB-O 3.24Å; P822-H997 VanDerWaalsContact CD-O 3.32Å; P822-H997 WeakPolarHBondContact CD-O 3.39Å; H997-T999 VanDerWaalsContact C-N 3.32Å; H997-T999 PolarHBondContact O-N 2.87Å
998R88.1Confident94Very high67 Ų6735.8 Ų35.825%0.25317%0.168SC..THydrogen-bonded Turntrans-93.617.3-179.8-61.2172-178.4-170.22.8113.1Y825 R945 I996Y825-R998 WeakPolarHBondContact CE1-O 3.1Å; R945-R998 VanDerWaalsContact NH1-NH1 3.2Å; I996-R998 PolarHBondContact O-N 3.18Å
999T94.3Very high93.5Very high10 Ų1040.8 Ų40.86%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-119.3130.8-174.7-46.30000111.4D949 R951 A995 I996 H997 F1001D949-T999 WeakPolarHBondContact O-CA 3.39Å; R951-T999 HydrophobicContact CB-CG2 4.26Å; R951-T999 HydrophobicContact CG-CG2 3.76Å; A995-T999 WeakPolarHBondContact CA-O 3.41Å; I996-T999 PolarHBondContact N-O 3.28Å; I996-T999 PolarHBondContact O-N 3.19Å; H997-T999 VanDerWaalsContact C-N 3.32Å; H997-T999 PolarHBondContact O-N 2.87Å; T999-F1001 HydrophobicContact CG2-CD2 4.34Å; T999-F1001 HydrophobicContact CG2-CE1 4.09Å; T999-F1001 HydrophobicContact CG2-CE2 3.78Å; T999-F1001 HydrophobicContact CG2-CZ 3.65Å
1000I96.6Very high93.1Very high0 Ų040.4 Ų40.40%020%0.203CC..EExtended strand (participates in β ladder)trans-101.4123.2173.4-58.3170000108.2Y825 P826 I831 M948 D949 L950 R951 V992 V1002Y825-I1000 HydrophobicContact CD1-CD1 3.88Å; Y825-I1000 HydrophobicContact CD1-CG1 3.65Å; Y825-I1000 HydrophobicContact CE1-CD1 4.26Å; Y825-I1000 HydrophobicContact CE1-CG1 4.08Å; P826-I1000 HydrophobicContact CG-CD1 3.85Å; I831-I1000 HydrophobicContact CD1-CG2 4.46Å; M948-I1000 HydrophobicContact CB-CD1 4.04Å; M948-I1000 HydrophobicContact CG-CD1 4.45Å; M948-I1000 HydrophobicContact SD-CD1 3.66Å; D949-I1000 PolarHBondContact O-N 3.13Å; L950-I1000 WeakPolarHBondContact CA-O 3.29Å; L950-I1000 HydrophobicContact CD1-CB 3.88Å; L950-I1000 HydrophobicContact CD1-CG2 3.68Å; R951-I1000 PolarHBondContact N-O 2.77Å; V992-I1000 HydrophobicContact CB-CG2 4.42Å; V992-I1000 HydrophobicContact CG1-CG2 3.95Å; V992-I1000 HydrophobicContact CG2-CG2 3.77Å; I1000-V1002 HydrophobicContact CG2-CG1 4.35Å
1001F96.9Very high92.7Very high2 Ų244.1 Ų44.11%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-100.1130.9177.6-66.1-84.4000111.1A798 R951 L953 Q993 S994 I996 T999 L1033A798-F1001 WeakPolarHBondContact O-CZ 3.42Å; R951-F1001 HydrophobicContact CB-CD1 4.18Å; R951-F1001 HydrophobicContact CB-CE1 4.22Å; R951-F1001 WeakPolarHBondContact O-CA 3.33Å; L953-F1001 HydrophobicContact CD1-CB 4.33Å; L953-F1001 HydrophobicContact CD1-CD1 3.92Å; L953-F1001 HydrophobicContact CD1-CG 4.3Å; Q993-F1001 PolarHBondContact N-O 2.83Å; S994-F1001 PolarHBondContact O-N 3.13Å; I996-F1001 HydrophobicContact CB-CE2 4.14Å; I996-F1001 HydrophobicContact CD1-CE2 4.23Å; I996-F1001 HydrophobicContact CG1-CE2 4.37Å; T999-F1001 HydrophobicContact CG2-CD2 4.34Å; T999-F1001 HydrophobicContact CG2-CE1 4.09Å; T999-F1001 HydrophobicContact CG2-CE2 3.78Å; T999-F1001 HydrophobicContact CG2-CZ 3.65Å; F1001-L1033 HydrophobicContact CD1-CD1 4.09Å; F1001-L1033 HydrophobicContact CD2-CD1 4.42Å; F1001-L1033 HydrophobicContact CE1-CD1 3.77Å; F1001-L1033 HydrophobicContact CE2-CD1 4.14Å; F1001-L1033 HydrophobicContact CG-CD1 4.39Å; F1001-L1033 HydrophobicContact CZ-CD1 3.8Å; F1001-L1033 HydrophobicContact CZ-CD2 4.17Å
1002V97.4Very high92.5Very high0 Ų042.7 Ų42.70%021%0.213CC..EExtended strand (participates in β ladder)trans-128.2154.7177.5-61.30000110.1L950 R951 I952 L953 A990 I1000 I1005L950-V1002 HydrophobicContact CD1-CG1 3.69Å; L950-V1002 HydrophobicContact CD1-CG2 4.32Å; L950-V1002 HydrophobicContact CG-CG2 4.29Å; R951-V1002 WeakPolarHBondContact O-CG2 3.27Å; R951-V1002 PolarHBondContact O-N 3.01Å; I952-V1002 CarbonylContact C-O 3.57Å; I952-V1002 WeakPolarHBondContact CA-O 3.43Å; I952-V1002 HydrophobicContact CG1-CG2 4.45Å; L953-V1002 WeakPolarHBondContact CB-O 3.38Å; L953-V1002 PolarHBondContact N-O 2.78Å; A990-V1002 HydrophobicContact CB-CB 4.02Å; A990-V1002 HydrophobicContact CB-CG1 3.72Å; A990-V1002 HydrophobicContact CB-CG2 4.23Å; I1000-V1002 HydrophobicContact CG2-CG1 4.35Å; V1002-I1005 HydrophobicContact CG2-CG1 4.03Å
1003R95Very high92.3Very high169 Ų16942.4 Ų42.464%0.63821%0.211SC*.SBendtrans-75.2-32.4172-68.8-172.4-175.4-162.8-3.4112.4I952 Q993I952-R1003 WeakPolarHBondContact CG2-O 3.49Å; Q993-R1003 HydrophobicContact CG-CG 3.65Å
1004N96.3Very high92.3Very high11 Ų1140.4 Ų40.46%0.05920%0.202CC..  trans-163165.7-172.8-155.8-1.8000111.6A990 Y1006 D1012 L1014A990-N1004 VanDerWaalsContact CB-O 3.26Å; A990-N1004 WeakPolarHBondContact CB-O 3.36Å; N1004-Y1006 HydrophobicContact CB-CE2 3.92Å; N1004-Y1006 PolarHBondContact ND2-OH 2.78Å; N1004-D1012 VanDerWaalsContact CG-OD1 3.23Å; N1004-D1012 PolarHBondContact ND2-OD1 3.43Å; N1004-D1012 PolarHBondContact ND2-OD2 3.36Å; N1004-D1012 PolarHBondContact OD1-OD1 3.29Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.22Å; N1004-L1014 PolarHBondContact OD1-N 3.44Å
1005I96.6Very high92.2Very high1 Ų142.1 Ų42.11%0.00521%0.214CC..  trans-127.8133.5176.3-62175.5000108.7F833 L844 L950 I952 F988 A990 V1002 L1013F833-I1005 HydrophobicContact CE2-CG2 4.36Å; F833-I1005 HydrophobicContact CZ-CD1 4.26Å; F833-I1005 HydrophobicContact CZ-CG1 4.2Å; F833-I1005 HydrophobicContact CZ-CG2 3.76Å; L844-I1005 HydrophobicContact CD1-CD1 3.4Å; L844-I1005 HydrophobicContact CG-CD1 4.49Å; L950-I1005 HydrophobicContact CD2-CD1 3.52Å; L950-I1005 HydrophobicContact CD2-CG1 4.13Å; I952-I1005 HydrophobicContact CD1-CD1 4.47Å; I952-I1005 HydrophobicContact CG1-CD1 4.26Å; I952-I1005 HydrophobicContact CG1-CG1 4.42Å; F988-I1005 HydrophobicContact CB-CG2 4.19Å; F988-I1005 HydrophobicContact CD1-CG2 4.36Å; A990-I1005 HydrophobicContact CB-CG1 4.36Å; V1002-I1005 HydrophobicContact CG2-CG1 4.03Å; I1005-L1013 HydrophobicContact CB-CB 4.08Å; I1005-L1013 HydrophobicContact CB-CD2 4.07Å; I1005-L1013 HydrophobicContact CD1-CD2 4.03Å; I1005-L1013 HydrophobicContact CG2-CD2 4.46Å; I1005-L1013 WeakPolarHBondContact O-CB 3.12Å; I1005-L1013 PolarHBondContact O-N 3Å
1006Y95.3Very high92Very high81 Ų8142.3 Ų42.332%0.31821%0.212SC..EExtended strand (participates in β ladder)trans-120.4145.9179.4-55.9-83.5000110.5F988 H989 N1004 N1011 D1012F988-Y1006 CarbonylContact C-O 3.53Å; F988-Y1006 VanDerWaalsContact CA-O 3.28Å; F988-Y1006 WeakPolarHBondContact CA-O 3.48Å; H989-Y1006 PolarHBondContact N-O 3.14Å; H989-Y1006 WeakPolarHBondContact NE2-CB 3.48Å; H989-Y1006 PolarHBondContact O-N 3.34Å; N1004-Y1006 HydrophobicContact CB-CE2 3.92Å; N1004-Y1006 PolarHBondContact ND2-OH 2.78Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.19Å; Y1006-D1012 HydrophobicContact CD1-CB 4.23Å; Y1006-D1012 HydrophobicContact CE1-CB 4.04Å
1007D90.1Very high91.9Very high3 Ų341.6 Ų41.62%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-89.3174.516771.115.2000112R986 F988 H989 E1009 G1010 N1011R986-D1007 IonicContact CZ-OD2 3.23Å; R986-D1007 VanDerWaalsContact NH2-CB 3.27Å; R986-D1007 VanDerWaalsContact NH2-CG 3.3Å; R986-D1007 IonicContact NH2-OD2 3.27Å; R986-D1007 PolarHBondContact NH2-OD2 2.86Å; F988-D1007 HydrophobicContact CD1-CB 3.81Å; F988-D1007 HydrophobicContact CE1-CB 3.7Å; H989-D1007 PolarHBondContact CE1-O 2.84Å; H989-D1007 VanDerWaalsContact CE1-O 3.3Å; D1007-E1009 PolarHBondContact O-N 2.7Å; D1007-E1009 VanDerWaalsContact O-N 3.13Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.49Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.42Å; D1007-E1009 PolarHBondContact OD1-N 2.84Å; D1007-G1010 PolarHBondContact O-N 2.93Å; D1007-G1010 PolarHBondContact OD1-N 3.1Å; D1007-N1011 PolarHBondContact N-O 3.38Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.5Å; D1007-N1011 PolarHBondContact OD1-N 3.37Å; D1007-N1011 PolarHBondContact OD1-ND2 3.45Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.25Å; D1007-N1011 PolarHBondContact OD2-ND2 2.63Å
1008D84.6Confident91.9Very high97 Ų9742.9 Ų42.952%0.51922%0.217SC..THydrogen-bonded Turntrans-61.6-16.7179-60.8-36.8000114.1Q987Q987-D1008 PolarHBondContact N-OD2 3.45Å; Q987-D1008 VanDerWaalsContact N-OD2 3.12Å; Q987-D1008 VanDerWaalsContact O-CG 3.31Å
1009E84.6Confident91.6Very high112 Ų11245.9 Ų45.952%0.52324%0.238SC..THydrogen-bonded Turntrans-93.8-1177.5-65.4174.5-171.800111.9D1007 N1011D1007-E1009 PolarHBondContact O-N 2.7Å; D1007-E1009 VanDerWaalsContact O-N 3.13Å; D1007-E1009 WeakPolarHBondContact OD1-CA 3.49Å; D1007-E1009 WeakPolarHBondContact OD1-CB 3.42Å; D1007-E1009 PolarHBondContact OD1-N 2.84Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 PolarHBondContact OE2-ND2 2.89Å
1010G85.7Confident90.8Very high49 Ų4949.8 Ų49.851%0.50525%0.251SS..  trans80.99.9-177.900000114.1D1007D1007-G1010 PolarHBondContact O-N 2.93Å; D1007-G1010 PolarHBondContact OD1-N 3.1Å
1011N89.6Confident90.1Very high78 Ų7851.2 Ų51.242%0.41726%0.258SS..  trans-68.9137.1175.2-56.7-66.3000110.3F976 Y1006 D1007 E1009F976-N1011 HydrophobicContact CE2-CB 4.13Å; Y1006-N1011 WeakPolarHBondContact CA-O 3.19Å; D1007-N1011 PolarHBondContact N-O 3.38Å; D1007-N1011 WeakPolarHBondContact OD1-CB 3.5Å; D1007-N1011 PolarHBondContact OD1-N 3.37Å; D1007-N1011 PolarHBondContact OD1-ND2 3.45Å; D1007-N1011 WeakPolarHBondContact OD2-CB 3.25Å; D1007-N1011 PolarHBondContact OD2-ND2 2.63Å; E1009-N1011 VanDerWaalsContact C-N 3.34Å; E1009-N1011 PolarHBondContact OE2-ND2 2.89Å
1012D92.8Very high89.2Confident41 Ų4155.8 Ų55.822%0.21928%0.275CS..BIsolated β-bridgetrans-98.3121.7-173.9170.6-11.5000111.2N1004 Y1006 L1014 S1015 F1016N1004-D1012 VanDerWaalsContact CG-OD1 3.23Å; N1004-D1012 PolarHBondContact ND2-OD1 3.43Å; N1004-D1012 PolarHBondContact ND2-OD2 3.36Å; N1004-D1012 PolarHBondContact OD1-OD1 3.29Å; Y1006-D1012 HydrophobicContact CD1-CB 4.23Å; Y1006-D1012 HydrophobicContact CE1-CB 4.04Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.47Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.43Å; D1012-L1014 PolarHBondContact OD1-N 3.41Å; D1012-S1015 VanDerWaalsContact CG-CB 3.43Å; D1012-S1015 VanDerWaalsContact CG-OG 3.25Å; D1012-S1015 PolarHBondContact OD1-N 2.88Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.39Å; D1012-S1015 PolarHBondContact OD2-OG 2.76Å; D1012-F1016 VanDerWaalsContact O-CB 3.27Å; D1012-F1016 WeakPolarHBondContact O-CB 3.38Å; D1012-F1016 PolarHBondContact O-N 3.27Å
1013L93.8Very high88.7Confident0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-69.8-43.1177.4-179.757.7000113.3I952 V972 F976 F977 I1005 S1015 F1016 V1017I952-L1013 HydrophobicContact CD1-CD2 4.02Å; I952-L1013 HydrophobicContact CD1-CG 4.21Å; V972-L1013 HydrophobicContact CG1-CD1 3.7Å; F976-L1013 HydrophobicContact CB-CD1 4.18Å; F976-L1013 HydrophobicContact CD1-CB 4.33Å; F976-L1013 HydrophobicContact CD1-CD1 3.75Å; F976-L1013 HydrophobicContact CD1-CG 4.45Å; F976-L1013 HydrophobicContact CD2-CD1 4.02Å; F976-L1013 HydrophobicContact CE1-CB 3.79Å; F976-L1013 HydrophobicContact CE1-CD1 4.1Å; F976-L1013 HydrophobicContact CE1-CG 4.35Å; F976-L1013 HydrophobicContact CE2-CB 4.03Å; F976-L1013 HydrophobicContact CE2-CD1 4.35Å; F976-L1013 HydrophobicContact CG-CD1 3.7Å; F976-L1013 HydrophobicContact CZ-CB 3.62Å; F976-L1013 HydrophobicContact CZ-CD1 4.39Å; F977-L1013 HydrophobicContact CE1-CD2 4.26Å; F977-L1013 HydrophobicContact CE2-CD2 4.49Å; F977-L1013 HydrophobicContact CZ-CD2 3.63Å; I1005-L1013 HydrophobicContact CB-CB 4.08Å; I1005-L1013 HydrophobicContact CB-CD2 4.07Å; I1005-L1013 HydrophobicContact CD1-CD2 4.03Å; I1005-L1013 HydrophobicContact CG2-CD2 4.46Å; I1005-L1013 WeakPolarHBondContact O-CB 3.12Å; I1005-L1013 PolarHBondContact O-N 3Å; L1013-S1015 PolarHBondContact O-N 3.4Å; L1013-F1016 HydrophobicContact CD1-CD1 4.39Å; L1013-F1016 WeakPolarHBondContact O-CB 3.42Å; L1013-F1016 PolarHBondContact O-N 3.31Å; L1013-V1017 HydrophobicContact CD1-CG2 3.94Å; L1013-V1017 HydrophobicContact CG-CG2 4.35Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.45Å; L1013-V1017 PolarHBondContact O-N 3.48Å
1014L93.6Very high88.4Confident28 Ų2851.7 Ų51.715%0.14727%0.265CS..Hα-helixtrans-59.3-48.7179.2178.262.7000110.7I952 L955 N1004 D1012 F1016 V1017 I1018I952-L1014 HydrophobicContact CG2-CD1 4.27Å; L955-L1014 HydrophobicContact CD1-CD1 3.79Å; L955-L1014 HydrophobicContact CD2-CD1 3.85Å; L955-L1014 HydrophobicContact CG-CD1 4.25Å; N1004-L1014 WeakPolarHBondContact OD1-CB 3.22Å; N1004-L1014 PolarHBondContact OD1-N 3.44Å; D1012-L1014 WeakPolarHBondContact OD1-CA 3.47Å; D1012-L1014 WeakPolarHBondContact OD1-CB 3.43Å; D1012-L1014 PolarHBondContact OD1-N 3.41Å; L1014-F1016 VanDerWaalsContact C-N 3.32Å; L1014-F1016 PolarHBondContact O-N 3.15Å; L1014-V1017 PolarHBondContact O-N 3.34Å; L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.1Å; L1014-I1018 HydrophobicContact CG-CD1 3.79Å; L1014-I1018 HydrophobicContact CG-CG1 4.5Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.49Å; L1014-I1018 PolarHBondContact O-N 3.14Å
1015S91.3Very high88.1Confident53 Ų5354 Ų5437%0.37128%0.275SS..Hα-helixtrans-62.5-39.8175.2-68.10000111.5D1012 L1013 V1017 N1019D1012-S1015 VanDerWaalsContact CG-CB 3.43Å; D1012-S1015 VanDerWaalsContact CG-OG 3.25Å; D1012-S1015 PolarHBondContact OD1-N 2.88Å; D1012-S1015 WeakPolarHBondContact OD2-CB 3.39Å; D1012-S1015 PolarHBondContact OD2-OG 2.76Å; L1013-S1015 PolarHBondContact O-N 3.4Å; S1015-V1017 VanDerWaalsContact C-N 3.28Å; S1015-V1017 PolarHBondContact O-N 3.4Å; S1015-N1019 VanDerWaalsContact O-CB 3.27Å; S1015-N1019 WeakPolarHBondContact O-CB 3.25Å; S1015-N1019 PolarHBondContact O-N 3.38Å; S1015-N1019 VanDerWaalsContact O-N 3.14Å; S1015-N1019 PolarHBondContact O-ND2 3.46Å; S1015-N1019 VanDerWaalsContact O-ND2 3.08Å
1016F89.8Confident87.9Confident19 Ų1954.7 Ų54.78%0.08328%0.279CS..Hα-helixtrans-58.3-41174.3178-84.3000112.2L971 V972 D975 F976 D1012 L1013 L1014 R1020L971-F1016 HydrophobicContact CD2-CE1 3.69Å; L971-F1016 HydrophobicContact CD2-CZ 3.54Å; V972-F1016 HydrophobicContact CG2-CD1 4.33Å; V972-F1016 HydrophobicContact CG2-CE1 4.02Å; D975-F1016 HydrophobicContact CB-CE2 4.35Å; D975-F1016 HydrophobicContact CB-CZ 3.77Å; F976-F1016 HydrophobicContact CB-CD1 4.34Å; F976-F1016 HydrophobicContact CB-CE1 4.26Å; F976-F1016 HydrophobicContact CB-CZ 4.37Å; F976-F1016 HydrophobicContact CD2-CB 3.95Å; F976-F1016 HydrophobicContact CD2-CD1 4.34Å; F976-F1016 AromaticContact CD2-CD2 3.96Å; F976-F1016 HydrophobicContact CD2-CD2 3.96Å; F976-F1016 AromaticContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CD2-CG 3.83Å; F976-F1016 HydrophobicContact CE2-CB 4.26Å; D1012-F1016 VanDerWaalsContact O-CB 3.27Å; D1012-F1016 WeakPolarHBondContact O-CB 3.38Å; D1012-F1016 PolarHBondContact O-N 3.27Å; L1013-F1016 HydrophobicContact CD1-CD1 4.39Å; L1013-F1016 WeakPolarHBondContact O-CB 3.42Å; L1013-F1016 PolarHBondContact O-N 3.31Å; L1014-F1016 VanDerWaalsContact C-N 3.32Å; L1014-F1016 PolarHBondContact O-N 3.15Å; F1016-R1020 WeakPolarHBondContact O-CG 3.39Å
1017V90.3Very high87.6Confident0 Ų059.4 Ų59.40%030%0.304CS..Hα-helixtrans-74.4-51.7-178.7171.50000111.3P841 L955 W964 V972 L1013 L1014 S1015 N1019 R1020 F1021P841-V1017 HydrophobicContact CB-CG1 3.96Å; P841-V1017 HydrophobicContact CB-CG2 3.79Å; L955-V1017 HydrophobicContact CD1-CG1 4.44Å; L955-V1017 HydrophobicContact CD2-CG1 4.19Å; W964-V1017 HydrophobicContact CH2-CG1 3.71Å; W964-V1017 HydrophobicContact CZ3-CG1 4.18Å; V972-V1017 HydrophobicContact CG2-CG2 4.03Å; L1013-V1017 HydrophobicContact CD1-CG2 3.94Å; L1013-V1017 HydrophobicContact CG-CG2 4.35Å; L1013-V1017 VanDerWaalsContact O-CG2 3.29Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.45Å; L1013-V1017 PolarHBondContact O-N 3.48Å; L1014-V1017 PolarHBondContact O-N 3.34Å; S1015-V1017 VanDerWaalsContact C-N 3.28Å; S1015-V1017 PolarHBondContact O-N 3.4Å; V1017-N1019 VanDerWaalsContact C-N 3.26Å; V1017-N1019 PolarHBondContact O-N 3.11Å; V1017-R1020 PolarHBondContact O-N 2.69Å; V1017-R1020 VanDerWaalsContact O-N 3.09Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 3.96Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.3Å; V1017-F1021 PolarHBondContact O-N 3.38Å
1018I87.3Confident87.7Confident80 Ų8062.4 Ų62.441%0.4132%0.324SS..Hα-helixtrans-60.1-37.5-177.4-69.5174.1000111.3L1014 R1020L1014-I1018 HydrophobicContact CD1-CD1 3.64Å; L1014-I1018 HydrophobicContact CD1-CG1 4.1Å; L1014-I1018 HydrophobicContact CG-CD1 3.79Å; L1014-I1018 HydrophobicContact CG-CG1 4.5Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.49Å; L1014-I1018 PolarHBondContact O-N 3.14Å; I1018-R1020 VanDerWaalsContact C-N 3.28Å; I1018-R1020 PolarHBondContact O-N 3.49Å
1019N82.8Confident88.2Confident129 Ų12957.8 Ų57.869%0.6930%0.3SS*.THydrogen-bonded Turntrans-75.7-13.3-178.9-68.4-23.9000113.9S1015 V1017S1015-N1019 VanDerWaalsContact O-CB 3.27Å; S1015-N1019 WeakPolarHBondContact O-CB 3.25Å; S1015-N1019 PolarHBondContact O-N 3.38Å; S1015-N1019 VanDerWaalsContact O-N 3.14Å; S1015-N1019 PolarHBondContact O-ND2 3.46Å; S1015-N1019 VanDerWaalsContact O-ND2 3.08Å; V1017-N1019 VanDerWaalsContact C-N 3.26Å; V1017-N1019 PolarHBondContact O-N 3.11Å
1020R77.4Confident88.7Confident93 Ų9354.4 Ų54.435%0.35128%0.284SS..THydrogen-bonded Turntrans-117.9-30-174.8-72.5-179.1170.6755.5113.8F1016 V1017 I1018F1016-R1020 WeakPolarHBondContact O-CG 3.39Å; V1017-R1020 PolarHBondContact O-N 2.69Å; V1017-R1020 VanDerWaalsContact O-N 3.09Å; I1018-R1020 VanDerWaalsContact C-N 3.28Å; I1018-R1020 PolarHBondContact O-N 3.49Å
1021F81.4Confident89.1Confident30 Ų3057.9 Ų57.913%0.13229%0.29CS..SBendtrans-122.7146.2-174.8-51.9-70.5000111.1W964 A968 L971 V972 V1017 S1023W964-F1021 HydrophobicContact CZ3-CB 4.09Å; A968-F1021 VanDerWaalsContact CA-CE1 3.49Å; A968-F1021 HydrophobicContact CB-CD1 3.72Å; A968-F1021 HydrophobicContact CB-CE1 3.55Å; A968-F1021 HydrophobicContact CB-CE2 4.44Å; A968-F1021 HydrophobicContact CB-CG 4.23Å; A968-F1021 HydrophobicContact CB-CZ 3.92Å; L971-F1021 HydrophobicContact CB-CZ 3.98Å; L971-F1021 HydrophobicContact CD1-CE1 4.39Å; L971-F1021 HydrophobicContact CD1-CZ 4.18Å; L971-F1021 HydrophobicContact CD2-CE2 4.36Å; L971-F1021 HydrophobicContact CD2-CZ 3.77Å; L971-F1021 HydrophobicContact CG-CZ 4.17Å; V972-F1021 HydrophobicContact CG2-CE2 3.78Å; V972-F1021 HydrophobicContact CG2-CZ 4.33Å; V1017-F1021 HydrophobicContact CB-CD2 4.33Å; V1017-F1021 HydrophobicContact CG1-CD2 3.96Å; V1017-F1021 WeakPolarHBondContact O-CD2 3.3Å; V1017-F1021 PolarHBondContact O-N 3.38Å; F1021-S1023 PolarHBondContact O-N 3.18Å; F1021-S1023 PolarHBondContact O-OG 2.9Å
1022R77.7Confident89.3Confident98 Ų9856.8 Ų56.837%0.3728%0.282SS..  trans-65.8105.7168.6-70.5-171.2-167.4-179.81.5109.8H578 E958H578-R1022 PolarHBondContact CE1-NH1 3.18Å; H578-R1022 PolarHBondContact CE1-NH2 3.24Å; H578-R1022 PolarHBondContact ND1-NH2 2.99Å; H578-R1022 PolarHBondContact NE2-NH1 3.27Å; H578-R1022 PolarHBondContact NE2-NH2 3.03Å; H578-R1022 VanDerWaalsContact NE2-NH2 3.12Å; E958-R1022 HydrophobicContact CB-CB 4.18Å; E958-R1022 HydrophobicContact CG-CB 4.13Å; E958-R1022 PolarHBondContact N-O 2.84Å; E958-R1022 WeakPolarHBondContact OE2-CB 3.39Å
1023S87.1Confident89.4Confident18 Ų1854.9 Ų54.913%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-147.2157.5-174.158.30000110.5Q956 F1021Q956-S1023 CarbonylContact O-C 3.23Å; Q956-S1023 VanDerWaalsContact O-CA 3.32Å; Q956-S1023 WeakPolarHBondContact O-CA 3.45Å; Q956-S1023 WeakPolarHBondContact O-CB 3.46Å; F1021-S1023 PolarHBondContact O-N 3.18Å; F1021-S1023 PolarHBondContact O-OG 2.9Å
1024H88.1Confident89.4Confident64 Ų6457.9 Ų57.930%0.29629%0.287SS..EExtended strand (participates in β ladder)trans-131.4138.9179175.183.6000108.9Q956Q956-H1024 HydrophobicContact CG-CB 4.33Å; Q956-H1024 WeakPolarHBondContact CG-O 3.33Å; Q956-H1024 PolarHBondContact N-O 3.35Å; Q956-H1024 PolarHBondContact NE2-CD2 3.3Å; Q956-H1024 VanDerWaalsContact NE2-CD2 3.34Å; Q956-H1024 PolarHBondContact O-N 3.33Å
1025Q90.9Very high89.4Confident59 Ų5958.9 Ų58.928%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-100.6108174.4-173.16717.600108.3L953 E1027L953-Q1025 PolarHBondContact O-NE2 3Å; Q1025-E1027 PolarHBondContact O-N 3.49Å
1026D91Very high89.5Confident16 Ų1656.5 Ų56.59%0.08628%0.283CS..  trans-81.3100.1176.5-171.3-16.2000110G954 C1028 C1029 K1032G954-D1026 PolarHBondContact O-N 2.83Å; D1026-C1028 PolarHBondContact O-N 3.33Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.38Å; D1026-C1028 PolarHBondContact OD1-N 3.24Å; D1026-C1029 HydrophobicContact CB-CB 4.31Å; D1026-C1029 WeakPolarHBondContact O-CB 3.44Å; D1026-C1029 PolarHBondContact O-N 3.07Å; D1026-C1029 VanDerWaalsContact O-N 3.12Å; D1026-K1032 IonicContact OD1-NZ 2.71Å; D1026-K1032 IonicContact OD2-NZ 3.08Å; D1026-K1032 PolarHBondContact OD2-NZ 3.49Å
1027E90.8Very high89.6Confident180 Ų18057.2 Ų57.284%0.84129%0.289SS*.THydrogen-bonded Turntrans-63.1-24.5180-61.8-173.1168.400112.8Q1025 C1029Q1025-E1027 PolarHBondContact O-N 3.49Å; E1027-C1029 VanDerWaalsContact C-N 3.3Å; E1027-C1029 PolarHBondContact O-N 2.73Å
1028C91.3Very high89.7Confident66 Ų6663.2 Ų63.245%0.44632%0.318SS..THydrogen-bonded Turntrans-86.11.6178.7-60.40000113.1D1026 Q1030 L1031 K1032D1026-C1028 PolarHBondContact O-N 3.33Å; D1026-C1028 WeakPolarHBondContact OD1-CB 3.38Å; D1026-C1028 PolarHBondContact OD1-N 3.24Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 3.07Å; C1028-L1031 PolarHBondContact O-N 2.76Å; C1028-L1031 VanDerWaalsContact O-N 3.15Å; C1028-K1032 WeakPolarHBondContact O-CG 3.46Å; C1028-K1032 PolarHBondContact O-N 3.29Å; C1028-K1032 VanDerWaalsContact O-N 3.13Å
1029C94.8Very high89.8Confident1 Ų162.4 Ų62.41%0.00732%0.32CS..Hα-helixtrans-57.3-40-175.9-173.60000113.1L953 G954 D1026 E1027 K1032 L1033L953-C1029 HydrophobicContact CD1-CB 4.15Å; L953-C1029 HydrophobicContact CG-CB 4.34Å; G954-C1029 PolarHBondContact N-SG 3Å; D1026-C1029 HydrophobicContact CB-CB 4.31Å; D1026-C1029 WeakPolarHBondContact O-CB 3.44Å; D1026-C1029 PolarHBondContact O-N 3.07Å; D1026-C1029 VanDerWaalsContact O-N 3.12Å; E1027-C1029 VanDerWaalsContact C-N 3.3Å; E1027-C1029 PolarHBondContact O-N 2.73Å; C1029-K1032 PolarHBondContact O-N 3.01Å; C1029-L1033 WeakPolarHBondContact O-CG 3.43Å; C1029-L1033 PolarHBondContact O-N 2.83Å
1030Q94.6Very high90.2Very high41 Ų4157.5 Ų57.519%0.19230%0.295CS..Hα-helixtrans-62.8-45.8177.8-172.260.256.900111.2L953 S994 C1028 K1032 L1033 D1034L953-Q1030 HydrophobicContact CD2-CB 4.09Å; S994-Q1030 PolarHBondContact OG-OE1 2.86Å; S994-Q1030 VanDerWaalsContact OG-OE1 3.04Å; C1028-Q1030 VanDerWaalsContact C-N 3.31Å; C1028-Q1030 PolarHBondContact O-N 3.07Å; Q1030-K1032 VanDerWaalsContact C-N 3.26Å; Q1030-K1032 PolarHBondContact O-N 3.23Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.45Å; Q1030-L1033 PolarHBondContact O-N 2.91Å; Q1030-L1033 VanDerWaalsContact O-N 3.12Å; Q1030-D1034 PolarHBondContact NE2-OD1 2.81Å; Q1030-D1034 PolarHBondContact O-N 3.01Å
1031L94.7Very high90.6Very high121 Ų12157.4 Ų57.463%0.63430%0.298SS*.Hα-helixtrans-60.1-37.6179.1-63.4173.9000112C1028 A1035C1028-L1031 PolarHBondContact O-N 2.76Å; C1028-L1031 VanDerWaalsContact O-N 3.15Å; L1031-A1035 WeakPolarHBondContact O-CB 3.46Å; L1031-A1035 PolarHBondContact O-N 2.83Å
1032K94.9Very high90.8Very high56 Ų5660.8 Ų60.824%0.24332%0.317CS..Hα-helixtrans-67.5-42175.9-64.9174-177.2-177.90112F800 D802 D1026 C1028 C1029 Q1030 A1035 M1036F800-K1032 WeakPolarHBondContact O-CB 3.43Å; D802-K1032 HydrophobicContact CB-CD 4.48Å; D802-K1032 WeakPolarHBondContact OD2-CE 3.38Å; D802-K1032 IonicContact OD2-NZ 3.21Å; D802-K1032 PolarHBondContact OD2-NZ 3.21Å; D1026-K1032 IonicContact OD1-NZ 2.71Å; D1026-K1032 IonicContact OD2-NZ 3.08Å; D1026-K1032 PolarHBondContact OD2-NZ 3.49Å; C1028-K1032 WeakPolarHBondContact O-CG 3.46Å; C1028-K1032 PolarHBondContact O-N 3.29Å; C1028-K1032 VanDerWaalsContact O-N 3.13Å; C1029-K1032 PolarHBondContact O-N 3.01Å; Q1030-K1032 VanDerWaalsContact C-N 3.26Å; Q1030-K1032 PolarHBondContact O-N 3.23Å; K1032-A1035 PolarHBondContact O-N 3.43Å; K1032-M1036 PolarHBondContact O-N 3.39Å
1033L94.8Very high90.7Very high0 Ų057.1 Ų57.10%031%0.306CS..Hα-helixtrans-64.2-42175.3-70.8169000111.4L953 I996 F1001 C1029 Q1030 M1036 V1037L953-L1033 HydrophobicContact CD1-CD1 3.62Å; I996-L1033 HydrophobicContact CD1-CB 3.82Å; I996-L1033 HydrophobicContact CD1-CD1 4.48Å; F1001-L1033 HydrophobicContact CD1-CD1 4.09Å; F1001-L1033 HydrophobicContact CD2-CD1 4.42Å; F1001-L1033 HydrophobicContact CE1-CD1 3.77Å; F1001-L1033 HydrophobicContact CE2-CD1 4.14Å; F1001-L1033 HydrophobicContact CG-CD1 4.39Å; F1001-L1033 HydrophobicContact CZ-CD1 3.8Å; F1001-L1033 HydrophobicContact CZ-CD2 4.17Å; C1029-L1033 WeakPolarHBondContact O-CG 3.43Å; C1029-L1033 PolarHBondContact O-N 2.83Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.45Å; Q1030-L1033 PolarHBondContact O-N 2.91Å; Q1030-L1033 VanDerWaalsContact O-N 3.12Å; L1033-M1036 HydrophobicContact CD2-CE 3.92Å; L1033-M1036 WeakPolarHBondContact O-CB 3.38Å; L1033-M1036 PolarHBondContact O-N 3.1Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.46Å; L1033-V1037 PolarHBondContact O-N 2.95Å
1034D94.1Very high89.8Confident63 Ų6360.6 Ų60.634%0.33733%0.328SS..Hα-helixtrans-63.8-42.7176.1-62.3-21.1000110.8Q1030 M1036 V1037 M1038Q1030-D1034 PolarHBondContact NE2-OD1 2.81Å; Q1030-D1034 PolarHBondContact O-N 3.01Å; D1034-M1036 VanDerWaalsContact C-N 3.35Å; D1034-M1036 PolarHBondContact O-N 2.87Å; D1034-V1037 PolarHBondContact O-N 3.21Å; D1034-M1038 WeakPolarHBondContact O-CG 3.14Å; D1034-M1038 PolarHBondContact O-N 2.97Å
1035A93.1Very high88.7Confident49 Ų4964.2 Ų64.241%0.40534%0.34SS..Hα-helixtrans-60.8-42.3174.300000112.3L1031 K1032 V1037 M1038 S1039L1031-A1035 WeakPolarHBondContact O-CB 3.46Å; L1031-A1035 PolarHBondContact O-N 2.83Å; K1032-A1035 PolarHBondContact O-N 3.43Å; A1035-V1037 PolarHBondContact O-N 3Å; A1035-M1038 HydrophobicContact CB-CE 4.46Å; A1035-M1038 PolarHBondContact O-N 3.46Å; A1035-S1039 WeakPolarHBondContact O-CB 3.33Å; A1035-S1039 PolarHBondContact O-N 2.64Å; A1035-S1039 PolarHBondContact O-OG 2.92Å
1036M92.6Very high86.5Confident4 Ų471 Ų712%0.0238%0.375CS..Hα-helixtrans-58.4-47.6173.5174.5-172.170.300111.1M797 M814 I996 K1032 L1033 D1034 S1039 S1040M797-M1036 HydrophobicContact CE-CB 4.26Å; M797-M1036 HydrophobicContact CE-CG 4Å; M797-M1036 HydrophobicContact CE-SD 4.34Å; M797-M1036 HydrophobicContact CG-CG 4.46Å; M797-M1036 HydrophobicContact CG-SD 3.64Å; M797-M1036 HydrophobicContact SD-SD 4.27Å; M814-M1036 HydrophobicContact CB-CG 4.18Å; M814-M1036 HydrophobicContact SD-CE 3.86Å; I996-M1036 HydrophobicContact CG2-CE 4.4Å; K1032-M1036 PolarHBondContact O-N 3.39Å; L1033-M1036 HydrophobicContact CD2-CE 3.92Å; L1033-M1036 WeakPolarHBondContact O-CB 3.38Å; L1033-M1036 PolarHBondContact O-N 3.1Å; D1034-M1036 VanDerWaalsContact C-N 3.35Å; D1034-M1036 PolarHBondContact O-N 2.87Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.47Å; M1036-S1039 CarbonylContact O-C 3.58Å; M1036-S1039 PolarHBondContact O-N 2.83Å; M1036-S1039 PolarHBondContact O-OG 3.47Å; M1036-S1040 PolarHBondContact O-N 3.16Å
1037V92.9Very high86.3Confident33 Ų3373.8 Ų73.820%0.239%0.389CS..Hα-helixtrans-60.4-46.6178.11660000111.5M814 V819 I996 L1033 D1034 A1035 S1039 S1040M814-V1037 HydrophobicContact SD-CG2 4.21Å; V819-V1037 HydrophobicContact CG1-CG1 3.51Å; V819-V1037 HydrophobicContact CG1-CG2 4.49Å; V819-V1037 HydrophobicContact CG2-CG1 4.28Å; I996-V1037 HydrophobicContact CD1-CG2 4.12Å; I996-V1037 HydrophobicContact CG1-CG2 4.4Å; I996-V1037 HydrophobicContact CG2-CG2 3.81Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.46Å; L1033-V1037 PolarHBondContact O-N 2.95Å; D1034-V1037 PolarHBondContact O-N 3.21Å; A1035-V1037 PolarHBondContact O-N 3Å; V1037-S1039 PolarHBondContact O-N 2.83Å; V1037-S1040 VanDerWaalsContact O-CB 3.25Å; V1037-S1040 WeakPolarHBondContact O-CB 3.5Å; V1037-S1040 PolarHBondContact O-N 2.84Å; V1037-S1040 VanDerWaalsContact O-N 3.16Å; V1037-S1040 PolarHBondContact O-OG 3.04Å
1038M91.7Very high86Confident126 Ų12668.2 Ų68.262%0.62137%0.365SS*.Hα-helixtrans-63.4-29.6177.1-70.6-172.4-66.100112.9F280 D1034 A1035 S1040F280-M1038 HydrophobicContact CZ-SD 3.85Å; D1034-M1038 WeakPolarHBondContact O-CG 3.14Å; D1034-M1038 PolarHBondContact O-N 2.97Å; A1035-M1038 HydrophobicContact CB-CE 4.46Å; A1035-M1038 PolarHBondContact O-N 3.46Å; M1038-S1040 VanDerWaalsContact C-N 3.29Å; M1038-S1040 PolarHBondContact O-N 2.81Å
1039S89.6Confident85.7Confident64 Ų6468.3 Ų68.345%0.44836%0.361SS..THydrogen-bonded Turntrans-85.67.1177.973.40000114.5A1035 M1036 V1037A1035-S1039 WeakPolarHBondContact O-CB 3.33Å; A1035-S1039 PolarHBondContact O-N 2.64Å; A1035-S1039 PolarHBondContact O-OG 2.92Å; M1036-S1039 WeakPolarHBondContact CA-OG 3.47Å; M1036-S1039 CarbonylContact O-C 3.58Å; M1036-S1039 PolarHBondContact O-N 2.83Å; M1036-S1039 PolarHBondContact O-OG 3.47Å; V1037-S1039 PolarHBondContact O-N 2.83Å
1040S90.1Very high85.2Confident25 Ų2572.3 Ų72.318%0.17538%0.382CS..  trans-59.8142-178.457.20000112.7M814 M1036 V1037 M1038M814-S1040 VanDerWaalsContact O-CA 3.22Å; M814-S1040 WeakPolarHBondContact O-CA 3.01Å; M814-S1040 WeakPolarHBondContact O-CB 3.27Å; M1036-S1040 PolarHBondContact O-N 3.16Å; V1037-S1040 VanDerWaalsContact O-CB 3.25Å; V1037-S1040 WeakPolarHBondContact O-CB 3.5Å; V1037-S1040 PolarHBondContact O-N 2.84Å; V1037-S1040 VanDerWaalsContact O-N 3.16Å; V1037-S1040 PolarHBondContact O-OG 3.04Å; M1038-S1040 VanDerWaalsContact C-N 3.29Å; M1038-S1040 PolarHBondContact O-N 2.81Å
1041K87.5Confident84.6Confident91 Ų9174.3 Ų74.340%0.39639%0.394SS..BIsolated β-bridgetrans-115.9159-178.1-59.8-171-171.7176.50110.6E784 V813 M814 W815 R816E784-K1041 IonicContact OE1-NZ 2.78Å; E784-K1041 PolarHBondContact OE1-NZ 3.16Å; V813-K1041 HydrophobicContact CG1-CB 3.9Å; V813-K1041 HydrophobicContact CG1-CD 3.86Å; V813-K1041 HydrophobicContact CG1-CG 3.7Å; M814-K1041 PolarHBondContact O-N 3.03Å; W815-K1041 CarbonylContact C-O 3.53Å; W815-K1041 VanDerWaalsContact CA-O 3.25Å; W815-K1041 WeakPolarHBondContact CA-O 3.5Å; R816-K1041 PolarHBondContact N-O 3.03Å
1042D84.2Confident84Confident101 Ų10171.1 Ų71.154%0.5438%0.378SS..  trans-66.3144.5171.5-66.6-45.3000110.4R816 P1044R816-D1042 VanDerWaalsContact CD-OD1 3.24Å; R816-D1042 WeakPolarHBondContact CD-OD1 3.47Å; R816-D1042 IonicContact CZ-OD1 3.92Å; R816-D1042 VanDerWaalsContact CZ-OD1 3.23Å; R816-D1042 IonicContact CZ-OD2 3.14Å; R816-D1042 VanDerWaalsContact CZ-OD2 3.27Å; R816-D1042 IonicContact NE-OD1 3.02Å; R816-D1042 PolarHBondContact NE-OD1 2.71Å; R816-D1042 IonicContact NH1-OD1 2.63Å; R816-D1042 PolarHBondContact NH1-OD1 2.68Å; R816-D1042 IonicContact NH1-OD2 3.25Å; R816-D1042 PolarHBondContact NH1-OD2 3.46Å; R816-D1042 IonicContact NH2-OD2 3.98Å; D1042-P1044 WeakPolarHBondContact O-CD 3.42Å
1043C77Confident83.2Confident21 Ų2172.2 Ų72.214%0.14239%0.387CS..  trans-70.7123.8176-1760000109.2W815 Y1045 M1046W815-C1043 HydrophobicContact CB-CB 4.41Å; W815-C1043 HydrophobicContact CD2-CB 3.9Å; W815-C1043 HydrophobicContact CE3-CB 4.36Å; W815-C1043 HydrophobicContact CG-CB 3.92Å; C1043-Y1045 PolarHBondContact O-N 3.47Å; C1043-M1046 HydrophobicContact CB-CG 4.27Å
1044P68.3Low82.3Confident91 Ų9177.8 Ų77.859%0.59142%0.417SS*.THydrogen-bonded Turntrans-74.6-2.6-177.530-34.7000113.9D1042D1042-P1044 WeakPolarHBondContact O-CD 3.42Å
1045Y63.6Low81.3Confident140 Ų14079 Ų7955%0.54942%0.424SS..THydrogen-bonded Turntrans-113.716.3-177.2-53.2-71000113.2C1043C1043-Y1045 PolarHBondContact O-N 3.47Å
1046M45.3Very low80.2Confident203 Ų20381.7 Ų81.7100%143%0.425SS*.  trans-89.20169.9-86.3-165.8170.900111.8D817 C1043D817-M1046 HydrophobicContact CB-CE 4.41Å; C1043-M1046 HydrophobicContact CB-CG 4.27Å

Retrieved 1,046 of 1,046 residues in 594 ms (Link to these results)

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